data_2n91_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 2n91 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.403 ' OD2' ' CE ' ' A' ' 14' ' ' LYS . 23.5 t0 -57.33 -176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 1.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.492 HG23 ' CE2' ' A' ' 6' ' ' PHE . 6.1 mt -153.4 131.68 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.437 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 18.3 t -114.71 136.62 50.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.492 ' CE2' HG23 ' A' ' 4' ' ' ILE . 89.6 m-85 -117.19 103.12 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.35 121.47 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.86 151.42 43.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 1.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.2 12.79 9.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.5 t-20 -143.62 21.52 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 1.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.69 133.48 6.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 1.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.437 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 0.6 OUTLIER -50.57 148.77 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 1.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.2 t -117.78 92.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' CE ' ' OD2' ' A' ' 3' ' ' ASP . 2.2 mttp -66.26 141.09 58.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -145.02 107.96 4.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -63.15 95.65 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.309 3.339 . . . . 1.0 109.602 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.451 ' CE1' HE21 ' A' ' 21' ' ' GLN . 36.9 t-80 -73.09 -58.19 3.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 1.0 109.611 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 24.0 tptt -58.82 -40.58 84.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.74 -50.7 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -64.92 -13.81 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 1.0 109.578 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 7.6 mm-40 -84.0 -13.41 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -22.52 12.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.28 -45.93 11.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 87.0 t -104.79 139.17 19.83 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 76.8 Cg_endo -83.09 -97.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.317 3.345 . . . . 1.0 109.587 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -44.58 130.12 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 109.293 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 75.2 m -91.82 -20.99 20.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 108.304 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -22.62 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -64.78 -25.63 68.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.7 m -114.75 -37.53 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.0 108.288 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 95.5 m-70 -111.18 73.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.0 109.568 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -36.28 83.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -100.03 41.13 1.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 1.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.43 150.01 1.93 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.536 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 76.8 Cg_exo -46.26 137.44 14.13 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.298 3.332 . . . . 1.0 109.612 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.06 -157.39 27.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 1.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 157.93 29.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 1.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.0 mt -115.24 89.53 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -66.89 99.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 1.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.28 -7.99 5.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 1.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 93.3 t80 -58.08 168.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 1.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.492 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 136.68 179.47 16.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 1.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.679 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.55 -38.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 1.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.37 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 1.0 110.282 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.2 ttm -75.58 -45.26 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 1.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -43.56 -26.82 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 1.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.679 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 51.9 m170 -100.44 -57.96 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.23 -142.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 1.0 111.051 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -79.89 53.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.27 -63.31 0.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 1.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -120.87 -50.94 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 8.8 mtmt -63.73 -25.07 68.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 1.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.44 -44.81 82.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 1.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.1 t -89.91 21.54 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.439 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 35.7 m170 -120.18 -68.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.604 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.22 -45.45 61.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 1.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.11 -43.07 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -97.05 -16.53 20.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.06 49.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 128.84 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.97 176.78 17.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 1.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.485 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.3 Cg_endo -64.18 96.48 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.322 3.348 . . . . 1.0 109.624 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.1 p -105.13 -15.85 14.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 110.43 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.42 164.23 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 -6.96 58.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.48 0.69 61.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 1.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -104.32 -45.19 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 1.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.02 -53.5 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 1.0 108.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.2 m-70 -89.2 82.96 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 1.0 109.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.435 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.2 t70 -59.52 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.46 HG23 ' CE2' ' A' ' 6' ' ' PHE . 6.1 mt -154.98 134.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.86 131.66 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.46 ' CE2' HG23 ' A' ' 4' ' ' ILE . 92.0 m-85 -112.66 105.95 14.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 111.034 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.8 130.81 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 1.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -133.15 150.95 52.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -86.32 13.02 8.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 5.6 m-20 -147.56 24.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 112.05 133.29 6.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 1.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.99 146.84 13.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 1.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 t -113.14 98.4 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 145.98 48.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -147.89 108.43 3.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 1.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -62.29 85.15 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.31 3.34 . . . . 1.0 109.603 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -61.71 -52.47 64.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 1.0 109.632 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -63.84 -56.31 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.29 -47.22 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -65.04 -29.84 70.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -69.14 -13.13 62.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.93 -24.72 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.06 -49.64 6.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -94.52 124.19 56.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.94 -95.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.367 3.378 . . . . 1.0 109.55 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -49.32 131.26 20.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 1.0 109.31 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 29' ' ' LYS . 73.6 m -89.28 -23.51 22.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.58 -23.92 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 27' ' ' CYS . 2.3 mmtt -61.0 -29.59 69.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.5 m -114.79 -36.82 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 108.32 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -109.18 62.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -41.4 88.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.58 37.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.63 157.2 8.88 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 1.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.3 163.04 0.69 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.343 3.362 . . . . 1.0 109.547 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.54 -173.81 15.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 1.0 111.005 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 162.44 19.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.5 mt -117.05 84.67 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 99.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 1.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.82 -11.88 4.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 1.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.49 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 89.4 t80 -56.69 171.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 1.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 135.82 -179.55 17.67 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.479 1.112 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.675 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.24 -38.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 1.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.4 mt-10 -37.28 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.8 ttm -76.26 -43.07 43.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.21 -25.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.675 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 50.9 m170 -102.57 -56.22 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.97 -143.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.15 . . . . 1.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -80.39 53.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 1.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.51 -64.1 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.118 . . . . 1.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.7 m -117.37 -52.49 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.305 -0.998 . . . . 1.0 108.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 11.7 mtmt -63.87 -23.38 67.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 1.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.56 -52.41 34.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 1.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 13.3 t -87.61 27.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 23.5 m170 -122.57 -68.16 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 109.642 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.17 -47.35 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 1.0 110.231 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.45 -32.6 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.0 mtp -97.93 -19.26 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.36 50.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -163.92 132.05 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.11 176.48 18.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.11 . . . . 1.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.409 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 58.9 Cg_endo -67.48 99.17 0.5 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.293 3.329 . . . . 1.0 109.632 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 p -108.54 -12.85 14.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 1.0 110.381 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 164.64 12.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 1.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -79.31 -6.51 56.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.97 4.57 56.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 1.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -108.94 -42.69 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 1.0 110.303 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.03 -54.36 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 1.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.7 m-70 -87.01 79.98 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.645 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 tttt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.0 109.305 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.418 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.0 t70 -63.02 -176.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 4.1 mt -154.97 133.23 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.5 t -118.25 136.84 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -117.79 108.01 14.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 1.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -47.6 128.26 12.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 1.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -130.9 149.91 52.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -85.83 12.81 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -146.49 23.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 111.98 133.84 6.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 1.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.4 145.42 14.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 1.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 t -111.75 94.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 1.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 145.21 54.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -148.67 111.21 3.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -64.25 93.41 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.28 3.32 . . . . 1.0 109.592 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -67.56 -53.64 26.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -64.89 -56.0 15.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.8 -49.16 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -62.78 -34.23 76.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 1.0 109.58 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -64.66 -11.53 36.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 1.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -103.42 -25.5 13.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 1.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.17 -49.58 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 1.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.1 t -102.67 136.15 19.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.332 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ASP . 60.8 Cg_endo -83.94 -98.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.32 3.346 . . . . 1.0 109.576 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' PRO . 9.5 t70 -39.9 129.34 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 109.34 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.401 ' C ' ' N ' ' A' ' 29' ' ' LYS . 82.9 m -90.77 -22.36 21.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 108.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -23.59 1.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 1.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 27' ' ' CYS . 8.6 mmpt? -61.58 -30.0 70.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 1.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.8 m -113.39 -36.11 5.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 108.283 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.53 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 91.3 m-70 -112.32 68.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 1.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -40.69 87.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 1.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.69 40.89 1.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' C ' ' HB3' ' A' ' 31' ' ' HIS . . . 75.23 150.03 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 1.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.53 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 73.3 Cg_exo -45.29 156.3 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.283 3.322 . . . . 1.0 109.607 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.68 -155.97 21.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 1.0 110.998 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.68 163.2 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 1.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.5 mt -114.26 102.27 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 1.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -79.55 50.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 178.38 34.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 1.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -98.44 169.47 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 1.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.55 171.03 12.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 1.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.657 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.87 -41.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.765 . . . . 1.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.2 mm-40 -36.53 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.476 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.6 ttm -72.8 -46.73 51.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 1.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.88 -25.52 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.657 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.6 m170 -101.71 -57.17 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.46 -145.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -78.55 53.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 1.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -113.31 -64.34 0.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 1.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 m -117.62 -52.99 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 2.1 mtmt -62.19 -26.33 68.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.57 -43.04 87.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 1.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.81 18.93 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.247 -1.02 . . . . 1.0 108.247 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' LYS . 42.5 m170 -119.73 -69.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.594 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.16 -46.04 61.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 1.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -51.91 -33.27 36.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 mtp -98.23 -15.33 19.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 64.03 50.83 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.33 130.9 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.46 176.99 18.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.61 99.15 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.322 3.348 . . . . 1.0 109.617 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 p -110.17 -3.02 16.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 110.358 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.44 164.89 11.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 1.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -80.19 -9.43 59.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 108.28 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.39 3.9 59.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 1.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.08 -44.75 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 1.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.17 -53.6 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 1.0 108.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -87.57 81.18 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.0 109.637 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -60.44 -176.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.515 HG22 ' CE2' ' A' ' 6' ' ' PHE . 6.4 mt -155.93 131.57 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.7 t -117.92 135.89 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CE2' HG22 ' A' ' 4' ' ' ILE . 96.1 m-85 -116.86 99.95 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 1.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 131.45 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -134.71 151.36 50.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.97 13.99 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.6 m-20 -148.25 23.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 1.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 113.49 133.21 5.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 1.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.51 141.47 51.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 1.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.1 t -105.76 102.33 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 1.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 143.0 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -144.63 107.68 4.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.64 93.7 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.308 3.339 . . . . 1.0 109.62 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.457 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 31.9 t-80 -69.55 -56.87 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 1.0 109.62 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 9.1 tptm -58.35 -45.79 87.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.8 -49.86 75.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -65.83 -17.66 64.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.0 mm-40 -81.12 -12.09 59.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -22.54 12.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 1.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.28 -49.63 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.6 t -97.08 129.3 32.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 1.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.86 -96.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.309 3.339 . . . . 1.0 109.61 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -45.06 120.37 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.414 ' C ' ' N ' ' A' ' 29' ' ' LYS . 71.2 m -83.3 -23.41 32.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 1.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -48.09 -24.21 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 27' ' ' CYS . 13.1 mmtt -59.99 -33.2 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.2 m -111.83 -33.74 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -113.3 62.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -59.69 -40.34 87.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.44 34.73 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.73 162.79 25.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 1.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -53.14 160.97 3.89 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.338 . . . . 1.0 109.587 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.81 -163.4 17.45 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.14 . . . . 1.0 111.002 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 166.78 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 1.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.6 mt -119.27 93.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 1.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.2 103.06 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.62 -20.83 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 1.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 19.5 t80 -47.38 160.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 1.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.539 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 151.74 173.46 21.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 1.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.661 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.45 -42.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 1.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -37.37 -68.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 1.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.467 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -77.95 -46.68 20.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -48.13 -23.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 1.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.661 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.3 m170 -101.52 -54.39 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.59 -140.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 1.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.9 OUTLIER -83.6 49.35 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 1.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -107.49 -63.26 0.58 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.585 1.178 . . . . 1.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.1 m -117.74 -55.07 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.3 -22.25 64.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.07 -55.28 16.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 1.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 23.5 t -86.36 29.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.35 -0.982 . . . . 1.0 108.35 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 20.2 m170 -122.68 -68.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 1.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -52.91 -45.99 67.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -28.41 17.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 1.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mtp -99.7 -12.98 19.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm 59.21 52.02 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 1.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.33 129.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.82 175.17 15.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 1.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.448 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 57.2 Cg_endo -66.9 96.38 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.291 3.327 . . . . 1.0 109.546 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.9 p -106.13 -11.92 15.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 1.0 110.336 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -99.41 163.95 12.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -5.21 53.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 1.0 108.32 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.96 3.38 55.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.425 1.078 . . . . 1.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -108.71 -43.65 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 1.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.74 -52.5 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 108.299 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.8 m-70 -89.45 76.18 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.643 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.453 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.0 t70 -63.62 -177.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.505 HG23 ' CE2' ' A' ' 6' ' ' PHE . 4.1 mt -156.29 128.5 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.7 t -114.91 142.47 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.505 ' CE2' HG23 ' A' ' 4' ' ' ILE . 96.4 m-85 -122.93 103.23 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 1.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.93 125.91 4.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -127.89 152.28 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 1.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -87.4 14.64 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 5.3 m-20 -149.24 24.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 112.21 134.37 6.27 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 1.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.55 143.32 30.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 1.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 t -109.44 105.66 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 145.55 37.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 1.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -148.48 106.31 3.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -61.67 94.12 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.299 3.333 . . . . 1.0 109.604 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 32.9 t-80 -70.26 -57.13 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 109.605 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 36.3 tttm -58.82 -44.79 90.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.89 83.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -67.45 -14.73 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 1.0 109.676 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 7.5 mm-40 -84.55 -12.25 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 1.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.9 -23.59 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.98 -48.16 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.417 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 64.3 t -99.83 137.16 20.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.417 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 67.7 Cg_endo -82.62 -98.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.291 3.327 . . . . 1.0 109.57 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -44.7 128.65 6.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 109.315 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.411 ' C ' ' N ' ' A' ' 29' ' ' LYS . 72.7 m -89.31 -22.2 22.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -48.9 -23.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 1.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 27' ' ' CYS . 4.5 mmtt -61.59 -33.01 73.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 1.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 98.0 m -110.54 -33.31 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 108.339 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -114.65 59.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -42.21 70.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 1.0 110.287 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.41 39.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.49 159.89 8.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 1.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -50.9 157.01 4.12 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 1.0 109.6 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.94 -164.97 20.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 1.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 163.98 26.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 mt -114.74 98.81 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -76.65 102.35 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 1.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.56 -13.09 5.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 21.9 t80 -53.51 158.82 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 1.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.51 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 153.49 168.34 17.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 1.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.642 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -30.92 -43.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 0.778 . . . . 1.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 19.6 mm-40 -35.96 -61.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 1.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.465 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 2.0 ttp -84.65 -44.79 13.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.04 -22.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.642 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 45.6 m170 -103.08 -53.01 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 1.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.29 -138.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 1.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.23 48.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 1.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.465 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -106.67 -63.88 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.437 1.085 . . . . 1.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.4 m -117.25 -54.99 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -61.23 -21.54 63.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 1.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.59 -51.13 32.53 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.466 1.104 . . . . 1.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.2 t -88.0 25.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.269 -1.011 . . . . 1.0 108.269 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 27.6 m170 -121.31 -68.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.637 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.5 mt-10 -53.66 -45.76 70.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.74 -42.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -97.25 -17.36 19.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 1.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER 70.15 51.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -157.26 127.33 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.08 176.22 16.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.108 . . . . 1.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.431 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.7 Cg_endo -63.94 94.68 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.337 3.358 . . . . 1.0 109.598 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 p -105.65 -2.92 22.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 1.0 110.395 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -108.02 164.15 12.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -6.97 59.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.55 2.0 58.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 1.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -107.13 -44.65 4.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 0.757 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.31 -51.65 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 108.292 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.6 m-70 -90.64 79.34 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 109.595 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.303 -0.629 . . . . 1.0 109.303 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.98 -175.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.458 HG23 ' CE2' ' A' ' 6' ' ' PHE . 4.7 mt -152.26 133.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 t -118.3 136.35 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.458 ' CE2' HG23 ' A' ' 4' ' ' ILE . 96.7 m-85 -117.06 101.16 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 1.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.83 126.44 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.65 146.28 43.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -83.88 10.28 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 24.3 t-20 -133.94 15.39 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.28 134.5 6.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 1.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.61 134.53 46.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 1.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.9 t -100.99 86.96 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -62.36 138.91 58.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -140.95 110.45 6.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 1.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 19.5 Cg_exo -64.5 93.41 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.345 . . . . 1.0 109.622 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -68.25 -54.91 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.635 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -64.72 -53.48 46.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.26 -45.29 17.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' ND1' ' O ' ' A' ' 16' ' ' PRO . 16.5 m80 -66.86 -29.75 69.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.16 -13.15 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 1.0 110.273 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -101.27 -25.06 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 1.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.59 -48.61 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.0 t -97.75 136.2 21.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 1.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -84.43 -98.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.314 3.343 . . . . 1.0 109.625 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -44.38 132.05 6.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.321 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.409 ' C ' ' N ' ' A' ' 29' ' ' LYS . 75.7 m -90.89 -23.51 20.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 108.292 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -48.28 -24.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' CYS . 6.0 mmtt -60.66 -31.82 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.4 m -111.55 -35.52 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 108.291 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -112.26 60.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -40.17 77.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.278 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -94.75 40.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 1.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.58 159.89 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 1.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -51.99 153.62 11.79 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.281 3.32 . . . . 1.0 109.619 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.14 178.06 15.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 1.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 167.34 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 1.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.4 mt -121.78 80.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.11 100.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 1.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.12 -19.53 3.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.558 1.162 . . . . 1.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 82.1 t80 -49.17 171.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 1.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 136.23 178.8 16.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 1.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.684 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.0 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 1.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.9 mm-40 -37.1 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.6 ttm -76.93 -43.4 35.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.51 -25.59 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 1.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.684 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 47.5 m170 -101.21 -57.23 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.21 -142.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 1.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.58 53.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 1.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.06 -62.65 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 1.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.0 m -120.17 -52.24 2.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -62.82 -25.48 68.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.78 -45.97 85.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 1.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 t -89.57 22.49 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 33.4 m170 -120.49 -68.64 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 1.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.25 -45.69 65.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 1.0 110.316 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.96 -43.01 2.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 1.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -97.93 -15.77 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.28 46.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 1.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -150.09 127.41 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.89 178.92 17.85 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.478 1.111 . . . . 1.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 65.1 Cg_endo -68.48 98.79 0.58 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.354 . . . . 1.0 109.613 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 p -106.33 -17.46 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 110.409 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.63 165.07 12.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 1.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.33 -7.81 58.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 1.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.36 2.4 59.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 1.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -106.27 -40.17 5.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 1.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 m -91.16 -56.25 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 108.342 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.3 m-70 -85.52 77.47 9.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.602 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 1.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.436 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 26.6 t0 -65.81 -176.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.436 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.0 mt -155.64 135.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.489 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 6.3 t -117.6 136.77 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' LYS . 71.2 m-85 -119.55 98.07 5.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 1.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' PHE . 6.8 mmtt -39.71 125.28 1.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -128.27 149.26 50.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -86.1 12.62 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.291 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.62 23.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 111.75 133.75 6.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 1.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.489 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 0.9 OUTLIER -53.75 145.06 16.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 1.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 8.7 t -108.35 72.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -49.55 136.1 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.416 ' HE1' ' CE1' ' A' ' 20' ' ' HIS . 34.4 t80 -144.6 118.19 5.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.513 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 89.6 Cg_endo -77.17 106.61 2.27 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.347 3.365 . . . . 1.0 109.58 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -75.66 -53.54 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 1.0 109.6 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 19.8 tttm -52.77 -57.41 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 1.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -40.7 -58.64 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.416 ' CE1' ' HE1' ' A' ' 15' ' ' PHE . 45.2 m80 -56.81 -35.15 68.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 10.9 mm-40 -65.73 -13.62 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 1.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.08 -10.26 13.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.64 -52.87 3.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 91.9 t -101.14 139.12 20.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 88.1 Cg_endo -81.67 -94.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.329 3.353 . . . . 1.0 109.595 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -45.7 127.51 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.295 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.402 ' C ' ' N ' ' A' ' 29' ' ' LYS . 81.4 m -90.1 -21.89 22.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 1.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -50.14 -22.79 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 27' ' ' CYS . 12.9 mmtm -64.34 -29.01 70.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 92.6 m -112.38 -36.83 5.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 108.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.9 m-70 -112.45 71.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.617 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -60.99 -39.97 91.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 1.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -95.63 40.32 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 1.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.65 150.08 2.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 1.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 74.8 Cg_exo -45.5 147.66 2.62 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.304 3.336 . . . . 1.0 109.622 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.48 -157.35 26.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.13 . . . . 1.0 110.999 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 159.41 24.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 1.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -113.5 87.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 1.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 97.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.59 -8.91 4.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 1.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 91.7 t80 -55.96 168.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 1.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 140.22 176.08 14.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 1.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.679 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -33.64 -38.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 1.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.08 -73.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.48 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 6.2 ttm -80.16 -41.45 25.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.12 . . . . 1.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.25 -23.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.679 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 49.1 m170 -103.44 -57.65 2.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.602 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.1 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 1.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 53.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 1.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.48 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.53 -64.34 0.47 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 1.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 m -116.47 -51.17 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 1.1 mtmt -65.06 -22.79 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.97 -49.34 54.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 1.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.8 t -87.71 23.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 31.4 m170 -120.65 -68.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 1.0 109.609 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.48 -45.87 62.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -30.79 57.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 1.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.9 mtp -99.29 -9.39 23.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 1.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm 54.76 51.43 13.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 1.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.87 129.13 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 1.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.35 178.39 18.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 1.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.54 101.77 0.67 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.31 3.34 . . . . 1.0 109.636 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -112.21 -2.9 14.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 1.0 110.371 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -108.55 165.75 11.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 1.0 109.236 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -7.94 59.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 1.0 108.323 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.36 3.56 58.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 1.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.26 -42.86 4.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 1.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.86 -54.19 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 108.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -86.64 78.02 9.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 1.0 109.586 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.3 -176.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.452 HG23 ' CE2' ' A' ' 6' ' ' PHE . 3.7 mt -149.83 129.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 1.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 t -114.97 141.93 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.452 ' CE2' HG23 ' A' ' 4' ' ' ILE . 96.5 m-85 -122.88 108.08 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 1.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -48.96 123.81 7.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 1.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -125.32 152.49 44.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -87.76 14.96 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 1.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -150.09 25.77 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 111.99 133.49 6.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 1.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.51 141.27 37.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 t -106.75 99.84 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 144.61 48.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -147.51 109.03 3.86 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 1.0 111.029 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -63.01 94.12 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.318 3.346 . . . . 1.0 109.599 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 30.1 t-80 -71.62 -58.33 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 1.0 109.598 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 16.2 tttt -57.6 -39.11 76.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.05 -54.3 36.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -61.91 -14.13 31.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.578 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 8.3 mm-40 -82.03 -13.35 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 1.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.21 -20.01 13.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.85 -46.08 9.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 1.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -110.34 102.76 52.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.04 -70.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.344 3.362 . . . . 1.0 109.574 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -60.9 125.67 24.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 1.0 109.369 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 29' ' ' LYS . 82.2 m -91.68 -23.4 19.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 108.365 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -50.18 -22.25 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -64.54 -28.45 69.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.7 m -114.35 -35.85 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 108.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 94.9 m-70 -112.26 70.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.63 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -62.73 -40.28 96.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.25 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 41.75 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 1.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.69 151.56 2.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 1.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.542 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 74.9 Cg_exo -46.94 154.91 0.97 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.314 3.343 . . . . 1.0 109.605 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.43 -167.65 22.97 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.509 1.131 . . . . 1.0 110.973 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 161.25 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 1.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.5 mt -117.23 95.89 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.14 104.85 3.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 110.332 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.45 -20.01 5.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 1.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 27.3 t80 -47.5 160.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 1.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 151.33 172.77 20.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 1.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.648 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.37 -42.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 1.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -36.78 -70.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 1.0 110.245 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.478 ' HG3' ' CA ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -75.87 -48.53 21.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 1.0 111.005 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.94 -25.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.648 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.8 m170 -100.55 -55.51 2.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 1.0 109.588 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.05 -139.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.142 . . . . 1.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 1.5 mttt -82.92 51.12 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 1.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.478 ' CA ' ' HG3' ' A' ' 45' ' ' MET . . . -109.65 -62.93 0.52 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 1.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -119.22 -54.97 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -61.09 -23.84 65.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.26 -49.93 48.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.6 t -88.52 25.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.251 -1.018 . . . . 1.0 108.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.467 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 28.2 m170 -121.63 -68.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 109.61 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.2 mt-10 -53.45 -45.79 69.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.42 -40.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -97.94 -17.62 19.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 1.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER 70.33 51.61 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 1.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.72 129.7 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.27 175.91 16.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 1.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.475 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.1 Cg_endo -64.96 96.4 0.26 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.308 3.338 . . . . 1.0 109.58 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.4 p -106.46 -11.46 15.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.71 163.73 12.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -6.05 57.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 108.273 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.79 2.61 58.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.166 . . . . 1.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -107.92 -46.42 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 1.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.63 -51.69 7.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 108.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -90.44 82.42 5.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 1.0 109.638 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 1.0 109.29 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.79 -176.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.415 HG21 ' CE2' ' A' ' 6' ' ' PHE . 5.5 mt -151.49 131.87 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.361 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -116.3 139.22 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 1.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.415 ' CE2' HG21 ' A' ' 4' ' ' ILE . 96.7 m-85 -118.29 96.41 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -41.85 122.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.06 146.76 50.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 1.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.1 10.6 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.99 17.45 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 1.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.98 135.15 5.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.84 136.08 57.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 t -103.63 98.75 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 1.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.07 142.42 50.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.443 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 8.7 t80 -145.33 108.75 4.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 15' ' ' PHE . 18.1 Cg_exo -64.91 94.34 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.329 3.353 . . . . 1.0 109.618 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.457 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 39.3 t-80 -72.0 -58.26 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 1.0 109.596 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.0 tptt -58.55 -39.11 79.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 16' ' ' PRO . . . -63.34 -51.71 64.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -64.5 -12.61 45.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 1.0 109.631 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 7.7 mm-40 -83.64 -13.79 53.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 1.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.06 -20.36 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.03 -44.52 10.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 1.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.0 t -110.59 102.77 52.89 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 1.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.76 -70.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.314 3.343 . . . . 1.0 109.593 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -60.55 126.81 28.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 1.0 109.269 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.1 m -93.79 -23.0 18.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 108.307 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -50.24 -22.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 1.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -66.22 -26.52 67.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.0 m -114.04 -37.23 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 1.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.41 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.6 m-70 -112.6 58.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -57.21 -42.11 80.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 1.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -92.02 38.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 1.0 109.304 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.9 155.17 8.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 1.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.41 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 9.8 Cg_endo -50.94 158.69 2.92 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.301 3.334 . . . . 1.0 109.574 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.44 -164.61 17.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 1.0 111.037 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.74 166.61 23.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 1.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mt -121.06 79.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.18 102.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.7 -16.78 4.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 1.0 111.017 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.453 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 94.6 t80 -50.5 169.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 0.796 . . . . 1.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 135.62 177.7 15.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 1.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.673 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.3 -38.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 1.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.49 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 1.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.475 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 6.8 ttm -78.5 -43.88 25.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 1.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.56 -25.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.673 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.2 m170 -101.16 -57.89 2.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.615 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.26 -143.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 1.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.92 53.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.59 -64.12 0.49 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 1.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.2 m -120.22 -50.28 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -63.67 -26.62 68.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 1.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.25 -41.94 96.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 1.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.7 t -91.08 20.91 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 33.2 m170 -119.41 -68.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.33 -45.5 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 1.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.57 -42.39 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 1.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mtt -97.74 -16.52 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.31 48.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 1.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -154.1 131.11 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 1.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.34 176.82 18.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.551 1.157 . . . . 1.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.482 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.7 Cg_endo -64.69 101.03 0.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.323 3.349 . . . . 1.0 109.588 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -109.18 -14.18 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.41 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.13 164.25 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -7.71 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 108.349 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.53 -0.89 64.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 1.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -102.89 -46.66 4.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 1.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 m -85.51 -53.0 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -90.79 78.69 6.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 1.0 109.552 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.298 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.94 -176.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.512 HG21 ' CE2' ' A' ' 6' ' ' PHE . 7.8 mt -149.26 134.09 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 1.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 t -116.94 138.53 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 1.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.512 ' CE2' HG21 ' A' ' 4' ' ' ILE . 95.2 m-85 -118.78 99.41 6.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -43.36 131.65 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.37 149.6 42.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 1.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -85.29 12.39 8.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.9 t30 -138.96 18.75 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.82 132.87 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 1.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.43 136.34 49.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 1.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 t -102.96 98.77 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.51 144.42 49.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -146.85 109.97 4.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 22.4 Cg_exo -63.26 96.57 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.293 3.329 . . . . 1.0 109.623 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 28.8 t-80 -72.91 -58.62 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 109.609 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 4.9 tttt -58.24 -40.58 82.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 1.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 16' ' ' PRO . . . -61.79 -51.83 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -64.43 -12.42 43.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 1.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 7.6 mm-40 -85.39 -10.92 55.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 1.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.47 -20.43 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.83 -48.96 7.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 1.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.82 101.11 50.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -55.28 -70.32 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.383 3.389 . . . . 1.0 109.59 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -55.51 122.49 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.8 m -91.52 -22.66 20.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 1.0 108.29 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -50.46 -22.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 1.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -65.62 -25.86 67.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.6 m -116.11 -37.64 3.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 1.0 108.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 91.0 m-70 -112.21 73.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 1.0 109.616 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -42.84 99.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 40.05 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.24 150.89 3.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 1.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.528 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 76.3 Cg_exo -46.12 143.02 7.92 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.308 3.339 . . . . 1.0 109.597 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.85 -156.81 27.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 1.0 111.021 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 165.6 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 1.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.3 mt -121.61 91.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.76 98.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 1.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.62 -11.49 4.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 1.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.464 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 94.2 t80 -54.57 169.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 1.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 137.12 179.31 16.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 1.0 111.041 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.677 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -33.7 -38.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 1.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.3 tt0 -37.4 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.477 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.0 ttm -77.57 -43.21 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 1.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.35 -25.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.677 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 49.5 m170 -102.08 -57.22 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 109.557 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.79 -145.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 1.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.84 53.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.777 . . . . 1.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.477 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.37 -64.31 0.47 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 1.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.7 m -118.28 -51.63 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.89 -25.85 68.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 1.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' OE2' ' A' ' 57' ' ' GLU . . . -68.07 -41.56 86.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 1.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 t -91.0 19.06 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' LYS . 41.7 m170 -119.6 -69.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 1.0 109.603 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -49.94 -46.91 52.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 110.351 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -53.11 -31.55 42.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 1.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 mtp -97.01 -18.66 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 66.85 50.75 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 1.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.47 130.47 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.67 174.28 16.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 1.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 44.8 Cg_endo -65.86 96.96 0.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.305 3.337 . . . . 1.0 109.62 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.7 p -104.3 -20.59 13.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 1.0 110.429 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -89.9 164.77 14.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 1.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -9.34 59.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.32 2.17 62.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 1.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -104.63 -43.37 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 1.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 m -88.5 -53.83 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 1.0 108.275 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.7 m-70 -87.75 82.39 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 1.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -64.5 -176.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 1.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.477 HG23 ' CE2' ' A' ' 6' ' ' PHE . 3.5 mt -153.96 125.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 1.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.406 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 6.6 t -114.62 138.14 45.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.506 1.129 . . . . 1.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.477 ' CE2' HG23 ' A' ' 4' ' ' ILE . 97.2 m-85 -118.53 99.73 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.31 128.7 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -132.05 151.37 51.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -86.63 14.02 7.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 1.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -148.32 24.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 112.36 133.51 6.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 1.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.406 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 0.4 OUTLIER -57.82 138.79 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 1.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 t -102.83 99.52 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 1.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 144.28 48.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -146.45 109.08 4.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 1.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -62.86 94.05 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.353 3.369 . . . . 1.0 109.557 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.456 ' CE1' HE21 ' A' ' 21' ' ' GLN . 31.0 t-80 -71.34 -58.4 3.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 1.0 109.63 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.0 ttpp -57.24 -39.62 75.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.12 -53.54 47.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 1.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -62.35 -15.77 50.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 1.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.7 mm-40 -80.08 -11.93 59.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 110.298 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.22 -34.35 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.63 -51.25 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 61.5 t -98.33 138.22 20.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 64.8 Cg_endo -82.82 -98.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.361 3.374 . . . . 1.0 109.614 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -44.34 127.98 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.414 ' C ' ' N ' ' A' ' 29' ' ' LYS . 71.2 m -87.24 -22.86 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 1.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -48.4 -23.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 1.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 27' ' ' CYS . 9.6 mmpt? -60.34 -32.88 71.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.3 m -111.64 -34.09 6.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 108.31 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -112.8 57.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.602 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -41.49 69.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.66 38.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.75 160.94 9.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.148 . . . . 1.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -52.51 160.74 3.38 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.263 3.309 . . . . 1.0 109.609 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.49 -165.49 16.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 1.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 162.33 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 1.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.3 mt -114.8 84.45 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.78 103.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 1.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.05 -10.72 5.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.15 . . . . 1.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 48.1 t80 -57.3 163.41 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.766 . . . . 1.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 147.19 172.23 17.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 1.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.656 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 1.8 ptpt -31.24 -42.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 1.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.2 mt-10 -36.89 -68.01 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.469 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.8 OUTLIER -78.85 -47.33 16.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 1.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.91 -24.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.656 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.8 m170 -101.22 -54.52 2.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.58 -138.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 1.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -84.49 49.84 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 1.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.469 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -108.63 -61.41 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 1.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 m -119.7 -55.74 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -60.94 -21.92 63.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' O ' ' OE2' ' A' ' 57' ' ' GLU . . . -67.47 -52.6 29.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 1.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 11.1 t -87.73 27.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 23.9 m170 -122.69 -67.98 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.592 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' LYS . 7.5 mt-10 -54.69 -48.22 72.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -41.68 -39.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 1.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -97.19 -18.53 19.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLU . 21.2 mmtt 69.03 51.24 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.84 124.45 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.83 174.95 14.8 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 1.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.455 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.6 Cg_endo -64.45 95.82 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.294 3.329 . . . . 1.0 109.563 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 p -106.69 0.6 24.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 110.412 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -110.37 164.95 12.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 1.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -7.81 59.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 1.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.74 3.27 58.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 1.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -109.62 -43.27 4.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 1.0 110.325 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.87 -52.69 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 108.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -88.86 81.39 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.623 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 109.282 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.82 -176.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.5 mt -152.21 133.3 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.9 t -120.17 136.83 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -116.33 98.67 6.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.04 124.5 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -130.65 147.05 52.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 1.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -84.58 11.11 9.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.1 t-20 -140.5 19.05 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 116.71 134.59 5.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 1.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.52 135.09 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.753 . . . . 1.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 t -103.08 103.12 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 147.44 40.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -150.42 108.19 3.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -65.26 97.3 0.3 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.31 3.34 . . . . 1.0 109.61 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.449 ' CE1' HE21 ' A' ' 21' ' ' GLN . 36.6 t-80 -71.69 -58.22 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 109.627 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.6 tptt -59.06 -44.9 91.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.16 83.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 1.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -69.92 -13.5 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.612 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 7.7 mm-40 -83.97 -12.02 55.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 -19.73 13.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 1.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.14 -47.22 8.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.9 t -109.73 103.54 53.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 1.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -56.4 -70.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.306 3.337 . . . . 1.0 109.631 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.72 126.85 28.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 1.0 109.315 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.405 ' C ' ' N ' ' A' ' 29' ' ' LYS . 70.1 m -93.21 -22.49 19.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -49.55 -23.11 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' CYS . 1.5 mmtp -64.57 -27.95 69.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.5 m -113.83 -36.75 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 108.323 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -113.72 64.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.586 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -36.49 80.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 1.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 24.05 3.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.35 156.59 32.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 1.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -51.74 153.1 11.9 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.293 3.329 . . . . 1.0 109.624 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.19 -173.13 17.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 1.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 169.35 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.774 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.6 mt -121.02 88.88 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.76 100.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.38 -12.19 4.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 1.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 89.1 t80 -54.13 168.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 1.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.23 176.6 14.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 1.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.672 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.08 -39.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 1.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.5 tt0 -37.37 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 1.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.8 ttm -76.87 -43.43 36.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.03 -24.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.672 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.3 m170 -102.76 -56.66 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 1.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.9 -143.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 1.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -80.15 53.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 1.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.96 -64.18 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 1.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.9 m -118.51 -51.63 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.353 -0.98 . . . . 1.0 108.353 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -62.46 -27.38 69.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 1.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.54 -42.91 93.3 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.112 . . . . 1.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 t -89.63 18.89 5.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 40.9 m170 -119.54 -69.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 1.0 109.612 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -51.63 -44.52 62.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 1.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.55 -43.11 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -99.61 -13.82 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp 67.56 47.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 1.0 109.247 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -151.54 124.72 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.44 176.85 16.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.416 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.7 Cg_endo -64.17 99.56 0.29 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.328 3.352 . . . . 1.0 109.58 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.8 p -109.6 -5.6 15.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 1.0 110.366 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -106.49 165.99 10.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -7.88 59.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 1.0 108.286 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.32 1.17 60.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 1.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -105.9 -44.79 4.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 1.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.4 m -87.04 -54.11 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 1.0 108.235 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.9 m-70 -87.53 71.71 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.16 -176.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.513 HG23 ' CE2' ' A' ' 6' ' ' PHE . 6.0 mt -153.11 133.04 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.425 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 4.0 t -119.28 137.26 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' CE2' HG23 ' A' ' 4' ' ' ILE . 96.7 m-85 -118.3 105.35 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.6 131.59 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -136.4 150.65 48.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 1.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -86.15 12.85 8.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.453 ' OD1' ' ND1' ' A' ' 69' ' ' HIS . 2.7 p30 -146.16 23.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 111.82 134.09 6.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 1.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.425 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -56.88 137.96 54.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 1.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.4 t -102.02 102.02 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 145.08 43.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -146.61 108.89 4.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 1.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.413 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 23.2 Cg_exo -63.03 96.42 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.318 3.346 . . . . 1.0 109.623 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -73.48 -56.49 4.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 109.594 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -60.86 -41.7 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 16' ' ' PRO . . . -60.08 -54.93 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -58.35 -23.44 56.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 1.0 109.594 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -74.15 -12.09 60.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.34 -24.07 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.54 -49.33 6.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 64.1 t -97.52 138.55 21.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 1.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 40.3 Cg_endo -85.67 -101.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.339 3.359 . . . . 1.0 109.64 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -41.7 133.06 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 1.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 29' ' ' LYS . 71.5 m -91.63 -25.36 19.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 108.258 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.2 -24.76 0.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 27' ' ' CYS . 20.9 mmtt -59.29 -33.37 71.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 1.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 84.6 m -111.76 -33.45 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 1.0 108.306 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -112.73 63.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.557 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -59.68 -40.43 87.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 35.64 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.26 160.17 14.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 1.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.76 162.28 1.07 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.314 3.343 . . . . 1.0 109.589 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.78 -160.49 17.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.445 1.091 . . . . 1.0 110.972 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.58 165.09 21.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.9 mt -117.22 86.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.56 99.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.88 -12.93 4.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 1.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 35.8 t80 -54.93 161.04 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 0.728 . . . . 1.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 150.87 171.03 18.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 1.0 110.971 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.654 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.51 -42.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 1.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.2 mm-40 -36.63 -64.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 1.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.469 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 1.2 ttp -82.83 -44.31 15.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.05 -23.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 1.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.654 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 46.5 m170 -102.93 -52.65 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 1.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.29 -138.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 1.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 2.9 ttmm -85.99 48.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 1.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.469 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -106.88 -62.8 0.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 1.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.7 m -116.88 -56.08 2.3 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.304 -0.998 . . . . 1.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -61.5 -20.61 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.16 -57.32 10.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 1.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.2 t -85.82 30.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 20.3 m170 -123.27 -67.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 109.555 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -54.49 -47.54 72.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -46.59 -30.63 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.9 mtp -99.47 -20.08 16.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? 69.12 50.64 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -164.61 134.96 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.4 175.69 18.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.515 1.134 . . . . 1.0 111.052 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -65.85 98.11 0.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.336 3.357 . . . . 1.0 109.587 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 p -109.11 -9.53 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.424 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.7 163.26 12.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 1.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.94 -4.51 50.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 1.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -103.06 5.19 49.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 1.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.63 -43.75 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 1.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.32 -52.18 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 108.317 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.453 ' ND1' ' OD1' ' A' ' 10' ' ' ASN . 98.3 m-70 -89.69 82.49 6.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.48 -176.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.453 HG21 ' CE2' ' A' ' 6' ' ' PHE . 3.7 mt -154.19 131.81 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 1.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.472 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 19.6 t -115.29 142.11 29.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.453 ' CE2' HG21 ' A' ' 4' ' ' ILE . 92.6 m-85 -122.67 97.62 5.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -40.17 122.89 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 1.0 109.237 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.6 151.99 47.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 1.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -86.71 13.9 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.229 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -145.96 23.46 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.73 134.12 6.57 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.118 . . . . 1.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.472 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -51.91 140.9 18.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 1.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 t -106.72 93.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 142.1 57.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -146.55 110.5 4.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 19.2 Cg_exo -64.72 94.13 0.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.306 3.337 . . . . 1.0 109.601 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.447 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 35.1 t-80 -71.55 -57.95 3.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.616 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -58.75 -40.56 84.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.243 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 16' ' ' PRO . . . -62.02 -51.15 69.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -64.49 -13.72 53.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 1.0 109.56 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 7.8 mm-40 -84.27 -12.27 54.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 1.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -21.46 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.87 -46.23 11.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 1.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 91.4 t -108.71 138.72 20.36 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.453 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 67.0 Cg_endo -82.72 -98.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.375 3.384 . . . . 1.0 109.601 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' PRO . 26.7 t70 -39.6 126.79 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.9 m -91.03 -21.13 21.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 108.317 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -50.75 -24.47 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 1.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -62.98 -25.63 68.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 84.7 m -114.88 -38.26 3.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 108.306 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 95.6 m-70 -110.94 73.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -37.81 88.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.1 40.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.04 150.05 2.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 1.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.533 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 77.3 Cg_exo -46.2 134.79 15.29 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.29 3.327 . . . . 1.0 109.564 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.4 -173.98 25.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 1.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 156.13 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -112.67 98.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 1.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.86 101.12 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.69 -3.3 6.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 1.0 111.039 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -61.92 166.81 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 1.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 141.35 172.57 13.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 1.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.69 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.33 -42.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 1.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' GLY . 14.4 mt-10 -37.25 -73.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 1.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.489 ' HG3' ' CA ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -71.91 -50.68 27.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.986 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.97 -27.16 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.69 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.4 m170 -99.74 -57.04 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 1.0 109.586 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.23 -143.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.551 1.157 . . . . 1.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.6 53.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 0.719 . . . . 1.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.489 ' CA ' ' HG3' ' A' ' 45' ' ' MET . . . -112.0 -63.65 0.48 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 1.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.6 m -119.25 -50.81 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 1.3 mttp -63.24 -26.21 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.6 -43.95 83.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 1.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -89.47 19.14 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.28 -1.007 . . . . 1.0 108.28 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 40.5 m170 -119.75 -68.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.624 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -49.53 -44.77 46.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -42.8 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 1.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mtt -97.93 -15.89 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 1.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.2 49.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.69 130.44 10.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.2 176.92 17.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.479 1.112 . . . . 1.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 35.7 Cg_endo -64.33 99.69 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 124.331 3.354 . . . . 1.0 109.562 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -108.9 -10.37 15.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 1.0 110.419 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -100.3 163.23 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -5.6 54.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 1.0 108.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.45 1.35 58.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 1.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -105.5 -45.09 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 1.0 110.287 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.81 -53.45 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 108.309 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -89.07 79.6 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 1.0 109.567 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 109.259 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.259 -0.645 . . . . 1.0 109.259 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.06 -176.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.6 mt -153.83 131.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 109.3 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.418 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 21.9 t -115.14 139.64 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -120.18 106.44 11.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 1.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -46.3 128.77 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 1.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -131.2 146.82 52.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 1.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.04 10.93 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -143.87 21.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 113.69 131.85 5.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.147 . . . . 1.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.418 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -49.54 149.7 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 1.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 t -116.39 90.39 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 142.9 58.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -147.76 108.69 3.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 1.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HB3' ' HB2' ' A' ' 19' ' ' ALA . 22.2 Cg_exo -63.42 93.21 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.267 3.311 . . . . 1.0 109.616 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 32.6 t-80 -70.5 -57.87 4.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.611 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -58.56 -41.26 85.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 1.0 109.344 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' A' ' 16' ' ' PRO . . . -61.79 -50.69 71.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 1.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -65.03 -14.28 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 1.0 109.61 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 7.8 mm-40 -82.95 -12.43 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 1.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.94 -21.56 12.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 1.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.4 -46.74 9.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 1.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.2 t -111.65 101.55 51.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.12 -70.48 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.346 . . . . 1.0 109.608 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -57.11 125.01 20.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 82.0 m -92.75 -24.55 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 108.325 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -49.84 -23.33 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 1.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -26.82 68.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 1.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 91.9 m -114.66 -37.94 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 108.257 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -109.74 66.01 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 1.0 109.615 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -40.28 94.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -94.89 38.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 1.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.19 164.75 22.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 1.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -54.88 161.45 6.28 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.285 3.323 . . . . 1.0 109.6 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.52 -171.86 14.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 1.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 164.12 20.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 mt -114.56 87.14 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 1.0 109.256 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.17 100.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.69 -5.44 5.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.437 1.086 . . . . 1.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.78 168.86 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.06 175.77 14.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 1.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.676 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -32.83 -39.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 1.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -36.57 -77.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.467 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.1 ttm -73.89 -47.32 38.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 1.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -43.51 -26.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 1.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.676 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.9 m170 -99.95 -57.79 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 109.631 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.14 -142.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 1.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 4.3 mmtt -79.77 53.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 1.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.24 -62.78 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 1.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 m -121.28 -52.75 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 11.5 mtmt -61.24 -28.12 68.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 1.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.87 -42.03 93.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 1.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.21 18.44 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.5 m170 -119.75 -69.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 1.0 109.575 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -50.63 -43.92 57.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -43.93 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.61 -13.28 19.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 67.16 47.82 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -150.56 123.78 8.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.07 177.31 16.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 1.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.17 100.76 0.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.308 3.338 . . . . 1.0 109.607 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 p -109.81 -7.17 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.388 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -102.97 164.45 11.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -9.23 59.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 108.308 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.86 1.05 61.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 1.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -43.18 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 1.0 110.364 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.4 -54.43 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 1.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -87.11 75.18 9.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.605 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 1.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -61.84 -177.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 1.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.535 HG22 ' CE2' ' A' ' 6' ' ' PHE . 7.8 mt -157.44 133.53 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 t -118.58 135.6 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CE2' HG22 ' A' ' 4' ' ' ILE . 95.2 m-85 -116.83 103.14 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 1.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -44.96 129.89 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 1.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.09 149.73 46.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.274 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -85.54 13.1 7.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -140.5 20.14 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.1 134.02 6.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.127 . . . . 1.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.2 138.16 32.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 1.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.41 90.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 1.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 142.27 58.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -143.4 112.58 5.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 1.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -64.59 96.0 0.24 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.292 3.328 . . . . 1.0 109.626 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -70.24 -55.44 9.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.61 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.2 ttmm -62.72 -51.1 68.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 1.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.67 -44.41 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -70.26 -21.33 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.596 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.501 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.2 mm-40 -76.39 -12.7 60.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -104.35 -28.56 11.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.22 -48.98 11.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.4 t -103.64 135.34 19.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 1.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -82.85 -97.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.37 3.38 . . . . 1.0 109.584 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -42.88 124.44 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.268 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.1 m -85.84 -21.22 28.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 1.0 108.313 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -50.22 -22.83 1.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 1.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -63.26 -28.84 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.8 m -113.25 -36.48 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.2 m-70 -112.58 70.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 109.561 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.28 96.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.68 40.3 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.95 150.61 2.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 1.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.536 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 75.6 Cg_exo -46.05 149.47 2.32 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.335 3.357 . . . . 1.0 109.604 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.67 -157.38 25.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 1.0 111.037 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.37 162.8 24.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 1.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.83 86.8 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.14 102.02 0.77 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 1.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.54 -10.05 5.82 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.539 1.149 . . . . 1.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 37.2 t80 -55.36 161.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 1.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 149.42 172.08 18.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 1.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.642 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 1.4 ptpt -31.22 -42.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 1.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' GLY . 23.8 mt-10 -37.09 -69.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.465 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.5 OUTLIER -76.91 -47.39 21.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 111.022 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.73 -23.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.642 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 56.8 m170 -101.92 -55.28 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 109.619 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.61 -142.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 1.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 6.8 pttp -82.16 50.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 1.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.465 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -109.32 -63.2 0.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 1.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 m -117.44 -57.36 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -59.7 -23.42 63.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.45 -48.38 57.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 1.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.14 23.35 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 34.0 m170 -120.76 -68.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -52.7 -45.71 67.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 1.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.38 -42.73 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 1.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.09 -15.66 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 1.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.95 47.1 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.3 126.21 10.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 1.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.82 178.84 17.37 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 1.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.427 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 60.8 Cg_endo -67.69 100.34 0.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.283 3.322 . . . . 1.0 109.613 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -109.92 -9.84 14.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 110.373 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.68 163.34 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -5.33 52.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 108.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.97 3.73 55.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.157 . . . . 1.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -108.64 -45.57 3.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 1.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.09 -52.1 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 108.291 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -90.36 84.23 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 109.57 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.267 -0.642 . . . . 1.0 109.267 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.444 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -64.32 -176.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.446 HG21 ' CE2' ' A' ' 6' ' ' PHE . 5.8 mt -155.62 132.14 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 t -116.32 139.5 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.446 ' CE2' HG21 ' A' ' 4' ' ' ILE . 95.5 m-85 -119.39 105.06 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.26 127.91 11.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.64 145.37 46.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.33 9.61 10.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 11.3 t30 -136.1 15.95 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.4 134.62 5.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 1.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.97 139.08 47.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 1.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 t -108.6 99.72 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 1.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 147.49 43.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -149.86 108.23 3.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.469 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 19.5 Cg_exo -64.57 99.75 0.32 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.308 3.339 . . . . 1.0 109.575 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -72.39 -54.55 9.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 1.0 109.604 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.8 ttpt -65.48 -52.59 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.33 -45.25 17.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.469 ' ND1' ' O ' ' A' ' 16' ' ' PRO . 18.5 m80 -67.18 -28.14 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.509 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 9.3 mm-40 -68.9 -12.06 61.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 1.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.46 -30.67 9.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.37 -46.73 13.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 1.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.447 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 99.1 t -102.86 138.97 19.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.447 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 37.4 Cg_endo -86.21 -101.63 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.319 3.346 . . . . 1.0 109.628 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -41.17 131.34 2.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.8 m -91.97 -23.12 19.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 108.322 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -49.14 -24.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -61.45 -31.82 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.3 m -108.36 -36.31 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 108.323 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -113.15 61.12 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 1.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -41.8 93.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 34.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.44 159.84 26.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 1.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -53.49 153.71 17.3 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.271 3.314 . . . . 1.0 109.566 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.86 -178.71 16.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 1.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 174.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 1.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -126.15 92.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.25 102.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.46 -7.79 5.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.142 . . . . 1.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.414 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 86.6 t80 -57.57 167.4 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 1.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 139.33 175.21 13.98 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.453 1.096 . . . . 1.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.694 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.32 -39.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 1.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -36.95 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.1 ttm -75.72 -46.8 29.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.85 -27.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.694 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 53.0 m170 -98.88 -59.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 109.556 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.33 -141.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.143 . . . . 1.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -79.51 53.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 1.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -113.01 -61.53 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 1.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 33.5 m -122.69 -53.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -30.58 69.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 1.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -64.88 -40.03 96.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 1.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.63 18.72 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.287 -1.005 . . . . 1.0 108.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -119.67 -69.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -49.29 -42.36 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.97 -46.88 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 1.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -10.17 25.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 1.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp 63.37 45.94 4.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.248 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -146.18 126.38 13.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 1.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.02 179.49 17.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 1.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.448 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 47.6 Cg_endo -66.52 104.16 0.75 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.306 3.337 . . . . 1.0 109.545 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.7 p -111.59 -2.83 15.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 110.421 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -107.51 164.84 11.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 1.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -8.99 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 108.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.16 -0.13 63.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 2.5 tp10 -103.38 -43.37 5.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 1.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -87.94 -54.03 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 108.294 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.4 m-70 -88.52 73.91 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 1.0 109.587 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.5 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.3 t70 -64.7 -176.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 3.5 mt -154.74 131.14 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.1 t -117.61 136.63 54.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -117.03 107.56 14.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.0 131.78 12.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -137.65 146.63 44.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 1.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 11.53 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 2.4 t30 -141.84 20.63 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 1.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 113.96 135.5 6.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 1.0 111.038 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.59 141.58 47.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 1.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 t -108.63 98.24 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 1.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 146.54 47.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -149.15 109.08 3.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -63.29 90.29 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.365 3.377 . . . . 1.0 109.576 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -65.19 -54.13 34.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.642 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.8 tttt -63.09 -55.84 21.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 1.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.27 -49.68 12.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -63.13 -29.65 70.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 1.0 109.628 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.506 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.41 -12.72 61.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 1.0 110.328 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 -24.43 14.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.15 -50.06 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 60.1 t -97.66 138.39 21.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 40.6 Cg_endo -85.93 -100.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.3 3.334 . . . . 1.0 109.612 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -41.36 131.95 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 109.296 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' LYS . 77.0 m -90.79 -23.84 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 1.0 108.33 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -47.98 -24.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' CYS . 6.4 mmpt? -59.82 -33.71 72.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 1.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.86 -35.04 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 108.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -111.39 58.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 1.0 109.545 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -52.97 -40.75 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 1.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -94.21 42.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 1.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.85 161.68 5.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.519 1.137 . . . . 1.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -50.66 161.17 1.4 Allowed 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.325 3.35 . . . . 1.0 109.643 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.08 164.66 13.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 1.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.28 168.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 1.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.4 mt -114.7 99.58 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.56 53.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.26 35.2 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.115 . . . . 1.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 68.7 t80 -99.43 170.34 8.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 1.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 137.47 169.37 11.61 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.556 1.16 . . . . 1.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.652 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.42 -42.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 1.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -35.71 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 1.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.465 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.7 ttm -74.0 -48.04 33.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.17 -25.3 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 1.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.652 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 57.5 m170 -100.95 -57.55 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.94 -143.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 1.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -79.74 53.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 1.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.465 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.5 -62.16 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 1.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 m -120.28 -54.89 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -60.96 -25.05 66.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.42 -46.9 74.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 1.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.4 t -89.92 24.38 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.296 -1.001 . . . . 1.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 31.1 m170 -121.32 -69.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 1.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.8 mt-10 -50.28 -47.0 55.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.54 -43.32 1.84 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 1.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.18 -18.25 20.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER 69.96 51.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.71 129.49 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.18 178.09 17.13 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.529 1.143 . . . . 1.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.462 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 50.8 Cg_endo -66.94 94.38 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.328 3.352 . . . . 1.0 109.582 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -103.38 -14.33 16.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 1.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 164.08 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -79.2 -7.78 58.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.22 3.19 59.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 1.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -107.35 -45.68 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 1.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.01 -53.57 5.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 108.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 99.3 m-70 -87.62 79.82 8.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.603 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 109.315 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.414 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.9 t70 -62.3 -176.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 4.0 mt -154.65 130.29 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 1.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.434 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 15.7 t -115.63 137.1 50.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -117.95 108.02 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -48.09 130.33 15.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -135.07 148.23 49.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 1.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.74 13.0 7.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.1 t30 -144.72 22.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 1.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 112.9 135.39 6.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 1.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.434 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 0.5 OUTLIER -56.72 143.33 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.754 . . . . 1.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 t -110.13 97.8 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.55 144.72 49.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -146.8 109.3 4.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 1.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -64.1 86.73 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.347 3.365 . . . . 1.0 109.623 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -62.75 -54.17 43.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 1.0 109.583 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -62.18 -54.85 35.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 109.246 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.88 -44.96 29.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -68.58 -26.28 65.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 1.0 109.577 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.483 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.0 mm-40 -71.87 -12.71 61.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 1.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.16 -23.59 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.62 -49.89 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 1.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.3 t -102.98 134.62 19.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -82.69 -97.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.327 3.352 . . . . 1.0 109.566 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -41.13 122.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 1.0 109.28 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 78.4 m -86.66 -22.09 26.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 108.301 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -49.12 -24.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.18 -31.06 70.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 82.8 m -112.04 -36.27 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 108.271 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -111.97 62.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.627 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -58.4 -40.5 82.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.91 36.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.89 156.81 10.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.545 1.153 . . . . 1.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -49.89 163.44 0.53 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.271 3.314 . . . . 1.0 109.631 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.53 -155.46 17.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 1.0 111.029 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 170.11 13.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.84 101.05 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.92 51.63 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.23 35.0 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 1.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -98.66 169.82 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.733 . . . . 1.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.09 169.92 11.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 1.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.673 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.34 -42.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 1.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.6 mt-10 -35.87 -75.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 1.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.472 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.7 ttm -72.88 -47.69 43.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 1.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.25 -25.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.673 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.2 m170 -100.8 -57.25 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.85 -144.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 1.0 111.013 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -79.07 53.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 1.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.42 -62.33 0.45 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 1.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 m -120.46 -53.32 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.276 -1.009 . . . . 1.0 108.276 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 9.9 mtmt -61.35 -26.14 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.86 -42.82 85.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 1.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 t -90.19 18.89 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.1 m170 -119.53 -70.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.593 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -48.9 -44.59 40.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.72 -43.94 4.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.56 -11.94 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 1.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp 65.42 45.93 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -147.53 125.79 12.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.18 178.21 17.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.453 1.096 . . . . 1.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 57.9 Cg_endo -67.46 98.28 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.281 3.32 . . . . 1.0 109.59 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 p -106.09 -14.79 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 110.42 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 164.79 12.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.51 -7.69 58.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.7 3.53 59.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 1.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -108.0 -42.79 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 1.0 110.319 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.83 -55.14 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 1.0 108.289 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 99.1 m-70 -85.73 79.65 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 1.0 109.609 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 1.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.487 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.6 t70 -71.23 -176.31 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.6 mt -157.18 134.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 1.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.47 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 6.7 t -118.57 138.39 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -120.13 109.35 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 1.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.09 129.09 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -135.09 146.06 48.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -86.66 13.56 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 2.3 m-20 -145.76 22.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 113.4 133.53 5.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 1.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.47 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 2.4 m-20 -54.9 139.45 40.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 1.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 3.0 t -103.47 84.33 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 142.3 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.404 ' CE1' ' CE1' ' A' ' 20' ' ' HIS . 50.9 t80 -148.2 117.81 4.19 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.513 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 94.0 Cg_endo -76.63 103.51 1.76 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.297 3.332 . . . . 1.0 109.612 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 50.8 t-80 -74.47 -53.28 9.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 109.626 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.9 ttmt -49.67 -39.72 37.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -62.54 -61.34 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.404 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 50.7 m80 -57.61 -16.31 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 2.2 mm-40 -77.8 -14.62 59.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -35.82 4.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.49 -52.62 63.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 1.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 57.3 t -107.92 138.81 20.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 1.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 87.8 Cg_endo -81.91 -93.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.315 3.344 . . . . 1.0 109.608 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -41.96 126.22 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 1.0 109.284 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 29' ' ' LYS . 66.7 m -90.15 -23.48 21.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 1.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -49.82 -21.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 1.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 27' ' ' CYS . 4.0 mmmp? -65.19 -29.49 70.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.2 m -113.63 -35.83 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 108.316 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 92.0 m-70 -112.86 70.71 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 1.0 109.577 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -39.88 92.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' NZ ' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -96.12 41.07 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 1.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' C ' ' HB3' ' A' ' 31' ' ' HIS . . . 74.88 150.4 2.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 1.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.527 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 74.6 Cg_exo -45.34 160.31 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.299 3.333 . . . . 1.0 109.611 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.88 -164.12 18.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 1.0 111.023 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 159.33 32.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 1.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.3 mt -108.39 104.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' HG2' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -80.36 50.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.63 34.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 1.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -98.08 168.56 10.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 1.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 139.42 168.78 11.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 1.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.658 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -32.14 -40.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 1.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 3.4 mm-40 -36.95 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 1.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.468 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.5 ttm -76.8 -45.1 30.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.15 -24.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.658 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.8 m170 -102.16 -57.62 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 109.646 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.23 -146.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 1.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 52.84 1.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 1.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.97 -63.53 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 1.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.5 m -117.67 -51.97 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -64.12 -23.16 67.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.03 -49.66 56.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 1.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 t -87.87 24.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.475 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 28.4 m170 -120.58 -68.89 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.68 -45.59 70.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 1.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -40.83 -43.12 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.04 -13.97 18.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 1.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt 67.19 46.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.77 122.86 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 1.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.51 176.25 16.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 1.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.27 100.7 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.315 3.343 . . . . 1.0 109.626 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.2 p -111.05 -2.02 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 110.409 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -108.38 164.55 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -8.9 59.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 1.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.23 4.19 58.53 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 1.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.49 -43.46 4.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 1.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.42 -54.25 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 108.278 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.5 m-70 -87.22 79.06 8.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.0 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 1.0 109.31 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.283 -0.636 . . . . 1.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -48.75 -24.03 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 1.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 1' ' ' ALA . 23.5 t0 -57.33 -176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 1.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.492 HG23 ' CE2' ' A' ' 6' ' ' PHE . 6.1 mt -153.4 131.68 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.437 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 18.3 t -114.71 136.62 50.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.492 ' CE2' HG23 ' A' ' 4' ' ' ILE . 89.6 m-85 -117.19 103.12 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.35 121.47 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.86 151.42 43.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 1.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.2 12.79 9.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.5 t-20 -143.62 21.52 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 1.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.69 133.48 6.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 1.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 0.6 OUTLIER -50.57 148.77 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 1.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.2 t -117.78 92.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' CE ' ' OD2' ' A' ' 3' ' ' ASP . 2.2 mttp -66.26 141.09 58.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.647 ' CE1' ' C3B' ' A' ' 102' ' ' HEM . 4.4 t80 -145.02 107.96 4.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -63.15 95.65 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.309 3.339 . . . . 1.0 109.602 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.451 ' CE1' HE21 ' A' ' 21' ' ' GLN . 36.9 t-80 -73.09 -58.19 3.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 1.0 109.611 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 24.0 tptt -58.82 -40.58 84.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.74 -50.7 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.402 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 21.5 m80 -64.92 -13.81 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 1.0 109.578 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.544 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.6 mm-40 -84.0 -13.41 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -22.52 12.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.28 -45.93 11.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 87.0 t -104.79 139.17 19.83 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 76.8 Cg_endo -83.09 -97.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.317 3.345 . . . . 1.0 109.587 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -44.58 130.12 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 109.293 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.404 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 75.2 m -91.82 -20.99 20.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 108.304 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -22.62 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -64.78 -25.63 68.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.7 m -114.75 -37.53 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.0 108.288 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 95.5 m-70 -111.18 73.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.0 109.568 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -36.28 83.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -100.03 41.13 1.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 1.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.43 150.01 1.93 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.536 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 76.8 Cg_exo -46.26 137.44 14.13 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.298 3.332 . . . . 1.0 109.612 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.06 -157.39 27.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 1.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 157.93 29.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 1.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.0 mt -115.24 89.53 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -66.89 99.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 1.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.28 -7.99 5.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 1.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 93.3 t80 -58.08 168.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 1.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.492 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 136.68 179.47 16.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 1.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.679 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.55 -38.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 1.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.37 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 1.0 110.282 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.2 ttm -75.58 -45.26 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 1.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -43.56 -26.82 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 1.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.679 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 51.9 m170 -100.44 -57.96 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.23 -142.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 1.0 111.051 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -79.89 53.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.27 -63.31 0.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 1.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -120.87 -50.94 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.502 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 8.8 mtmt -63.73 -25.07 68.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 1.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.44 -44.81 82.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 1.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.632 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 3.1 t -89.91 21.54 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.439 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 35.7 m170 -120.18 -68.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.604 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.22 -45.45 61.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 1.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.11 -43.07 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -97.05 -16.53 20.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.06 49.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 128.84 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.97 176.78 17.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 1.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.485 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.3 Cg_endo -64.18 96.48 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.322 3.348 . . . . 1.0 109.624 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.1 p -105.13 -15.85 14.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 110.43 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.42 164.23 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 -6.96 58.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.48 0.69 61.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 1.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -104.32 -45.19 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 1.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.7 m -86.02 -53.5 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 1.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.2 m-70 -89.2 82.96 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 1.0 109.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -176.06 90.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.544 ' C4B' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.647 ' C3B' ' CE1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.588 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -110.87 -23.64 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 1.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.435 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.2 t70 -59.52 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.46 HG23 ' CE2' ' A' ' 6' ' ' PHE . 6.1 mt -154.98 134.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.86 131.66 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.46 ' CE2' HG23 ' A' ' 4' ' ' ILE . 92.0 m-85 -112.66 105.95 14.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 111.034 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.8 130.81 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 1.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -133.15 150.95 52.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -86.32 13.02 8.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 5.6 m-20 -147.56 24.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 112.05 133.29 6.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 1.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.99 146.84 13.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 1.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 t -113.14 98.4 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 145.98 48.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.626 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 13.2 t80 -147.89 108.43 3.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 1.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -62.29 85.15 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.31 3.34 . . . . 1.0 109.603 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -61.71 -52.47 64.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 1.0 109.632 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -63.84 -56.31 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.29 -47.22 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.413 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 21.4 m80 -65.04 -29.84 70.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.619 ' OE1' ' C4B' ' A' ' 101' ' ' HEM . 0.0 OUTLIER -69.14 -13.13 62.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.93 -24.72 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.06 -49.64 6.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -94.52 124.19 56.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.94 -95.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.367 3.378 . . . . 1.0 109.55 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -49.32 131.26 20.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 1.0 109.31 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.477 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 73.6 m -89.28 -23.51 22.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.58 -23.92 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 27' ' ' CYS . 2.3 mmtt -61.0 -29.59 69.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.5 m -114.79 -36.82 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 108.32 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -109.18 62.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -41.4 88.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.58 37.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.63 157.2 8.88 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 1.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.3 163.04 0.69 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.343 3.362 . . . . 1.0 109.547 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.54 -173.81 15.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 1.0 111.005 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 162.44 19.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.5 mt -117.05 84.67 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 99.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 1.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.82 -11.88 4.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 1.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.49 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 89.4 t80 -56.69 171.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 1.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 135.82 -179.55 17.67 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.479 1.112 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.675 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.24 -38.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 1.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.4 mt-10 -37.28 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.8 ttm -76.26 -43.07 43.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.21 -25.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.675 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 50.9 m170 -102.57 -56.22 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.97 -143.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.15 . . . . 1.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -80.39 53.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 1.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.51 -64.1 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.118 . . . . 1.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.7 m -117.37 -52.49 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.305 -0.998 . . . . 1.0 108.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.53 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 11.7 mtmt -63.87 -23.38 67.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 1.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.56 -52.41 34.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 1.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.603 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 13.3 t -87.61 27.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 23.5 m170 -122.57 -68.16 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 109.642 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.17 -47.35 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 1.0 110.231 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.45 -32.6 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.0 mtp -97.93 -19.26 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.36 50.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -163.92 132.05 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.11 176.48 18.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.11 . . . . 1.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.409 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 58.9 Cg_endo -67.48 99.17 0.5 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.293 3.329 . . . . 1.0 109.632 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 p -108.54 -12.85 14.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 1.0 110.381 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 164.64 12.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 1.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -79.31 -6.51 56.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.97 4.57 56.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 1.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -108.94 -42.69 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 1.0 110.303 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.446 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -88.03 -54.36 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 1.0 108.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.449 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.7 m-70 -87.01 79.98 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.645 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' LYS . 8.8 tttt -174.24 88.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 1.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.619 ' C4B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.626 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.589 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.19 -25.16 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.418 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.0 t70 -63.02 -176.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 4.1 mt -154.97 133.23 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.5 t -118.25 136.84 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -117.79 108.01 14.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 1.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -47.6 128.26 12.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 1.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -130.9 149.91 52.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -85.83 12.81 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -146.49 23.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 111.98 133.84 6.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 1.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.4 145.42 14.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 1.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 t -111.75 94.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 1.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 145.21 54.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.616 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 13.2 t80 -148.67 111.21 3.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -64.25 93.41 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.28 3.32 . . . . 1.0 109.592 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -67.56 -53.64 26.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -64.89 -56.0 15.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.8 -49.16 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.445 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 18.7 m80 -62.78 -34.23 76.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 1.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.608 ' OE1' ' C4B' ' A' ' 101' ' ' HEM . 0.0 OUTLIER -64.66 -11.53 36.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 1.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -103.42 -25.5 13.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 1.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.17 -49.58 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 1.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.1 t -102.67 136.15 19.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.332 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ASP . 60.8 Cg_endo -83.94 -98.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.32 3.346 . . . . 1.0 109.576 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' PRO . 9.5 t70 -39.9 129.34 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 109.34 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.407 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 82.9 m -90.77 -22.36 21.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 108.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -23.59 1.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 1.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 27' ' ' CYS . 8.6 mmpt? -61.58 -30.0 70.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 1.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.8 m -113.39 -36.11 5.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 108.283 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.53 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 91.3 m-70 -112.32 68.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 1.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -40.69 87.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 1.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.69 40.89 1.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' C ' ' HB3' ' A' ' 31' ' ' HIS . . . 75.23 150.03 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 1.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.53 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 73.3 Cg_exo -45.29 156.3 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.283 3.322 . . . . 1.0 109.607 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.68 -155.97 21.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 1.0 110.998 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.68 163.2 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 1.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.5 mt -114.26 102.27 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 1.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -79.55 50.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 178.38 34.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 1.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -98.44 169.47 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 1.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.55 171.03 12.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 1.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.657 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.87 -41.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.765 . . . . 1.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.2 mm-40 -36.53 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.476 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.6 ttm -72.8 -46.73 51.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 1.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.88 -25.52 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.657 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.6 m170 -101.71 -57.17 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.46 -145.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -78.55 53.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 1.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -113.31 -64.34 0.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 1.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 m -117.62 -52.99 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 2.1 mtmt -62.19 -26.33 68.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.57 -43.04 87.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 1.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.526 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 0.9 OUTLIER -89.81 18.93 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.247 -1.02 . . . . 1.0 108.247 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' LYS . 42.5 m170 -119.73 -69.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.594 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.16 -46.04 61.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 1.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -51.91 -33.27 36.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 mtp -98.23 -15.33 19.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 64.03 50.83 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.33 130.9 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.46 176.99 18.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.61 99.15 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.322 3.348 . . . . 1.0 109.617 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 p -110.17 -3.02 16.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 110.358 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.44 164.89 11.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 1.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -80.19 -9.43 59.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 108.28 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.39 3.9 59.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 1.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.08 -44.75 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 1.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.439 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -86.17 -53.6 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 1.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.448 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.7 m-70 -87.57 81.18 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.0 109.637 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -169.17 71.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.608 ' C4B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.616 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.584 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' C ' ' CG ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' CG ' ' C ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -169.99 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 1.0 109.285 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -60.44 -176.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.515 HG22 ' CE2' ' A' ' 6' ' ' PHE . 6.4 mt -155.93 131.57 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.7 t -117.92 135.89 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CE2' HG22 ' A' ' 4' ' ' ILE . 96.1 m-85 -116.86 99.95 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 1.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 131.45 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -134.71 151.36 50.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.97 13.99 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.6 m-20 -148.25 23.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 1.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 113.49 133.21 5.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 1.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.51 141.47 51.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 1.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.1 t -105.76 102.33 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 1.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 143.0 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.724 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 13.4 t80 -144.63 107.68 4.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.64 93.7 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.308 3.339 . . . . 1.0 109.62 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.457 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 31.9 t-80 -69.55 -56.87 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 1.0 109.62 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 9.1 tptm -58.35 -45.79 87.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.8 -49.86 75.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -65.83 -17.66 64.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.49 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 8.0 mm-40 -81.12 -12.09 59.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -22.54 12.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 1.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.28 -49.63 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.6 t -97.08 129.3 32.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 1.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.86 -96.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.309 3.339 . . . . 1.0 109.61 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -45.06 120.37 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.421 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 71.2 m -83.3 -23.41 32.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 1.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -48.09 -24.21 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 27' ' ' CYS . 13.1 mmtt -59.99 -33.2 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.2 m -111.83 -33.74 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -113.3 62.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -59.69 -40.34 87.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.44 34.73 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.73 162.79 25.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 1.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -53.14 160.97 3.89 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.338 . . . . 1.0 109.587 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.81 -163.4 17.45 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.14 . . . . 1.0 111.002 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 166.78 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 1.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.6 mt -119.27 93.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 1.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.2 103.06 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.62 -20.83 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 1.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 19.5 t80 -47.38 160.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 1.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.539 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 151.74 173.46 21.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 1.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.661 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.45 -42.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 1.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -37.37 -68.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 1.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.467 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -77.95 -46.68 20.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -48.13 -23.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 1.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.661 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.3 m170 -101.52 -54.39 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.59 -140.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 1.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.9 OUTLIER -83.6 49.35 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 1.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -107.49 -63.26 0.58 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.585 1.178 . . . . 1.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.1 m -117.74 -55.07 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.52 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -61.3 -22.25 64.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.07 -55.28 16.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 1.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.605 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 23.5 t -86.36 29.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.35 -0.982 . . . . 1.0 108.35 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 20.2 m170 -122.68 -68.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 1.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -52.91 -45.99 67.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -28.41 17.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 1.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mtp -99.7 -12.98 19.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm 59.21 52.02 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 1.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.33 129.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.82 175.17 15.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 1.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.448 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 57.2 Cg_endo -66.9 96.38 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.291 3.327 . . . . 1.0 109.546 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.9 p -106.13 -11.92 15.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 1.0 110.336 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -99.41 163.95 12.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -5.21 53.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 1.0 108.32 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.96 3.38 55.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.425 1.078 . . . . 1.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -108.71 -43.65 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 1.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.442 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -86.74 -52.5 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 108.299 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.436 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.8 m-70 -89.45 76.18 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.643 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.79 77.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 1.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.49 ' C4B' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.724 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.547 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -49.76 -22.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 1.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.453 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.0 t70 -63.62 -177.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.505 HG23 ' CE2' ' A' ' 6' ' ' PHE . 4.1 mt -156.29 128.5 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.7 t -114.91 142.47 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.505 ' CE2' HG23 ' A' ' 4' ' ' ILE . 96.4 m-85 -122.93 103.23 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 1.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.93 125.91 4.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -127.89 152.28 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 1.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -87.4 14.64 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 5.3 m-20 -149.24 24.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 112.21 134.37 6.27 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 1.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.55 143.32 30.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 1.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 t -109.44 105.66 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 145.55 37.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 1.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.63 ' CE2' ' CBB' ' A' ' 102' ' ' HEM . 3.1 t80 -148.48 106.31 3.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -61.67 94.12 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.299 3.333 . . . . 1.0 109.604 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 32.9 t-80 -70.26 -57.13 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 109.605 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 36.3 tttm -58.82 -44.79 90.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.89 83.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -67.45 -14.73 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 1.0 109.676 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.5 mm-40 -84.55 -12.25 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 1.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.9 -23.59 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.98 -48.16 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.417 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 64.3 t -99.83 137.16 20.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.417 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 67.7 Cg_endo -82.62 -98.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.291 3.327 . . . . 1.0 109.57 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -44.7 128.65 6.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 109.315 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.411 ' C ' ' N ' ' A' ' 29' ' ' LYS . 72.7 m -89.31 -22.2 22.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -48.9 -23.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 1.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 27' ' ' CYS . 4.5 mmtt -61.59 -33.01 73.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 1.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 98.0 m -110.54 -33.31 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 108.339 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -114.65 59.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -42.21 70.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 1.0 110.287 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.41 39.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.49 159.89 8.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 1.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -50.9 157.01 4.12 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 1.0 109.6 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.94 -164.97 20.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 1.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 163.98 26.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 mt -114.74 98.81 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -76.65 102.35 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 1.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.56 -13.09 5.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 21.9 t80 -53.51 158.82 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 1.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.51 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 153.49 168.34 17.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 1.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.642 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -30.92 -43.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 0.778 . . . . 1.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 19.6 mm-40 -35.96 -61.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 1.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.465 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 2.0 ttp -84.65 -44.79 13.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.04 -22.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.642 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 45.6 m170 -103.08 -53.01 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 1.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.29 -138.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 1.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.23 48.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 1.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.465 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -106.67 -63.88 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.437 1.085 . . . . 1.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.4 m -117.25 -54.99 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -61.23 -21.54 63.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 1.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.59 -51.13 32.53 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.466 1.104 . . . . 1.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.616 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 8.2 t -88.0 25.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.269 -1.011 . . . . 1.0 108.269 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 27.6 m170 -121.31 -68.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.637 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.5 mt-10 -53.66 -45.76 70.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.74 -42.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -97.25 -17.36 19.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 1.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER 70.15 51.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -157.26 127.33 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.08 176.22 16.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.108 . . . . 1.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.431 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.7 Cg_endo -63.94 94.68 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.337 3.358 . . . . 1.0 109.598 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 p -105.65 -2.92 22.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 1.0 110.395 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -108.02 164.15 12.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -6.97 59.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.55 2.0 58.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 1.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -107.13 -44.65 4.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 0.757 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.422 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -85.31 -51.65 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 108.292 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.443 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.6 m-70 -90.64 79.34 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 109.595 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -168.75 73.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 1.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.518 ' C4B' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.63 ' CBB' ' CE2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.57 ' C2A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -75.87 -24.55 55.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.98 -175.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.458 HG23 ' CE2' ' A' ' 6' ' ' PHE . 4.7 mt -152.26 133.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 t -118.3 136.35 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.458 ' CE2' HG23 ' A' ' 4' ' ' ILE . 96.7 m-85 -117.06 101.16 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 1.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.83 126.44 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.65 146.28 43.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -83.88 10.28 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 24.3 t-20 -133.94 15.39 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.28 134.5 6.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 1.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.61 134.53 46.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 1.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.9 t -100.99 86.96 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -62.36 138.91 58.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.696 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 12.4 t80 -140.95 110.45 6.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 1.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 19.5 Cg_exo -64.5 93.41 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.345 . . . . 1.0 109.622 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -68.25 -54.91 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.635 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -64.72 -53.48 46.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.26 -45.29 17.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.446 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 16.5 m80 -66.86 -29.75 69.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.613 ' OE1' ' C4B' ' A' ' 101' ' ' HEM . 0.0 OUTLIER -68.16 -13.15 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 1.0 110.273 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -101.27 -25.06 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 1.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.59 -48.61 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.0 t -97.75 136.2 21.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 1.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -84.43 -98.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.314 3.343 . . . . 1.0 109.625 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -44.38 132.05 6.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.321 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.411 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 75.7 m -90.89 -23.51 20.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 108.292 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -48.28 -24.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' CYS . 6.0 mmtt -60.66 -31.82 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.4 m -111.55 -35.52 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 108.291 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -112.26 60.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -40.17 77.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.278 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -94.75 40.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 1.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.58 159.89 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 1.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -51.99 153.62 11.79 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.281 3.32 . . . . 1.0 109.619 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.14 178.06 15.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 1.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 167.34 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 1.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.4 mt -121.78 80.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.11 100.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 1.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.12 -19.53 3.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.558 1.162 . . . . 1.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 82.1 t80 -49.17 171.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 1.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 136.23 178.8 16.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 1.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.684 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.0 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 1.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.9 mm-40 -37.1 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.6 ttm -76.93 -43.4 35.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.51 -25.59 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 1.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.684 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 47.5 m170 -101.21 -57.23 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.21 -142.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 1.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.58 53.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 1.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.06 -62.65 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 1.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.0 m -120.17 -52.24 2.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.1 OUTLIER -62.82 -25.48 68.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.78 -45.97 85.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 1.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.613 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 4.4 t -89.57 22.49 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 33.4 m170 -120.49 -68.64 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 1.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.25 -45.69 65.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 1.0 110.316 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.96 -43.01 2.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 1.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -97.93 -15.77 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.28 46.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 1.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -150.09 127.41 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.89 178.92 17.85 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.478 1.111 . . . . 1.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 65.1 Cg_endo -68.48 98.79 0.58 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.354 . . . . 1.0 109.613 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 p -106.33 -17.46 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 110.409 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.63 165.07 12.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 1.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.33 -7.81 58.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 1.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.36 2.4 59.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 1.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -106.27 -40.17 5.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 1.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.448 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.5 m -91.16 -56.25 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 108.342 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.463 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.3 m-70 -85.52 77.47 9.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.602 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -173.77 89.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 1.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 1.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.613 ' C4B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.696 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.567 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -26.69 65.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 1.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.436 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 26.6 t0 -65.81 -176.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.436 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.0 mt -155.64 135.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.489 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 6.3 t -117.6 136.77 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' LYS . 71.2 m-85 -119.55 98.07 5.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 1.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' PHE . 6.8 mmtt -39.71 125.28 1.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -128.27 149.26 50.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -86.1 12.62 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.291 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.62 23.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 111.75 133.75 6.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 1.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.489 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 0.9 OUTLIER -53.75 145.06 16.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 1.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 8.7 t -108.35 72.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -49.55 136.1 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.608 ' CE1' ' C1B' ' A' ' 102' ' ' HEM . 34.4 t80 -144.6 118.19 5.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.513 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 89.6 Cg_endo -77.17 106.61 2.27 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.347 3.365 . . . . 1.0 109.58 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -75.66 -53.54 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 1.0 109.6 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 19.8 tttm -52.77 -57.41 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 1.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -40.7 -58.64 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.444 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 45.2 m80 -56.81 -35.15 68.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 10.9 mm-40 -65.73 -13.62 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 1.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.08 -10.26 13.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.64 -52.87 3.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 91.9 t -101.14 139.12 20.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 88.1 Cg_endo -81.67 -94.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.329 3.353 . . . . 1.0 109.595 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -45.7 127.51 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.295 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.411 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 81.4 m -90.1 -21.89 22.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 1.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -50.14 -22.79 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 27' ' ' CYS . 12.9 mmtm -64.34 -29.01 70.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 92.6 m -112.38 -36.83 5.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 108.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.9 m-70 -112.45 71.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.617 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -60.99 -39.97 91.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 1.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -95.63 40.32 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 1.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.65 150.08 2.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 1.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 74.8 Cg_exo -45.5 147.66 2.62 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.304 3.336 . . . . 1.0 109.622 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.48 -157.35 26.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.13 . . . . 1.0 110.999 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 159.41 24.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 1.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -113.5 87.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 1.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 97.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.59 -8.91 4.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 1.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 91.7 t80 -55.96 168.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 1.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 140.22 176.08 14.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 1.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.679 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -33.64 -38.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 1.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.08 -73.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.48 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 6.2 ttm -80.16 -41.45 25.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.12 . . . . 1.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.25 -23.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.679 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 49.1 m170 -103.44 -57.65 2.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.602 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.1 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 1.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 53.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 1.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.48 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.53 -64.34 0.47 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 1.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 m -116.47 -51.17 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 1.1 mtmt -65.06 -22.79 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.97 -49.34 54.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 1.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.642 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 4.8 t -87.71 23.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 31.4 m170 -120.65 -68.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 1.0 109.609 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.48 -45.87 62.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -30.79 57.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 1.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.9 mtp -99.29 -9.39 23.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 1.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm 54.76 51.43 13.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 1.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.87 129.13 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 1.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.35 178.39 18.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 1.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.54 101.77 0.67 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.31 3.34 . . . . 1.0 109.636 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -112.21 -2.9 14.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 1.0 110.371 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -108.55 165.75 11.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 1.0 109.236 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -7.94 59.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 1.0 108.323 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.36 3.56 58.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 1.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.26 -42.86 4.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 1.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.454 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -86.86 -54.19 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.418 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 99.8 m-70 -86.64 78.02 9.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 1.0 109.586 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -166.84 75.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.417 ' CMB' ' CBB' ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.642 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.575 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.52 -22.82 67.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 1.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.3 -176.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.452 HG23 ' CE2' ' A' ' 6' ' ' PHE . 3.7 mt -149.83 129.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 1.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 t -114.97 141.93 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.452 ' CE2' HG23 ' A' ' 4' ' ' ILE . 96.5 m-85 -122.88 108.08 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 1.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -48.96 123.81 7.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 1.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -125.32 152.49 44.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HE3' ' CGA' ' A' ' 103' ' ' HEM . 7.8 mttt -87.76 14.96 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 1.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -150.09 25.77 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 111.99 133.49 6.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 1.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.51 141.27 37.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 t -106.75 99.84 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 144.61 48.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.672 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 11.8 t80 -147.51 109.03 3.86 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 1.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -63.01 94.12 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.318 3.346 . . . . 1.0 109.599 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 30.1 t-80 -71.62 -58.33 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 1.0 109.598 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 16.2 tttt -57.6 -39.11 76.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.05 -54.3 36.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -61.91 -14.13 31.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.578 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.507 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 8.3 mm-40 -82.03 -13.35 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 1.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.21 -20.01 13.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.85 -46.08 9.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 1.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -110.34 102.76 52.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.04 -70.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.344 3.362 . . . . 1.0 109.574 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -60.9 125.67 24.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 1.0 109.369 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.43 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 82.2 m -91.68 -23.4 19.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 108.365 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -50.18 -22.25 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -64.54 -28.45 69.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.7 m -114.35 -35.85 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 108.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 94.9 m-70 -112.26 70.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.63 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -62.73 -40.28 96.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.25 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 41.75 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 1.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.69 151.56 2.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 1.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.542 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 74.9 Cg_exo -46.94 154.91 0.97 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.314 3.343 . . . . 1.0 109.605 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.43 -167.65 22.97 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.509 1.131 . . . . 1.0 110.973 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 161.25 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 1.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.5 mt -117.23 95.89 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.14 104.85 3.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 110.332 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.45 -20.01 5.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 1.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 27.3 t80 -47.5 160.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 1.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 151.33 172.77 20.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 1.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.648 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.37 -42.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 1.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -36.78 -70.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 1.0 110.245 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.478 ' HG3' ' CA ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -75.87 -48.53 21.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 1.0 111.005 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.94 -25.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.648 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.8 m170 -100.55 -55.51 2.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 1.0 109.588 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.05 -139.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.142 . . . . 1.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 1.5 mttt -82.92 51.12 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 1.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.478 ' CA ' ' HG3' ' A' ' 45' ' ' MET . . . -109.65 -62.93 0.52 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 1.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -119.22 -54.97 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -61.09 -23.84 65.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.26 -49.93 48.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.609 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 7.6 t -88.52 25.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.251 -1.018 . . . . 1.0 108.251 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.467 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 28.2 m170 -121.63 -68.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 109.61 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.2 mt-10 -53.45 -45.79 69.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.42 -40.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -97.94 -17.62 19.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 1.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER 70.33 51.61 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 1.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.72 129.7 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.27 175.91 16.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 1.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.475 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.1 Cg_endo -64.96 96.4 0.26 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.308 3.338 . . . . 1.0 109.58 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.4 p -106.46 -11.46 15.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.71 163.73 12.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -6.05 57.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 108.273 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.79 2.61 58.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.166 . . . . 1.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -107.92 -46.42 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 1.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.434 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -83.63 -51.69 7.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 108.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.9 m-70 -90.44 82.42 5.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 1.0 109.638 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -171.26 70.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 1.0 109.29 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.7 pttp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 1.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.507 ' C4B' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.672 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.575 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -56.42 -22.97 35.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.79 -176.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.415 HG21 ' CE2' ' A' ' 6' ' ' PHE . 5.5 mt -151.49 131.87 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.361 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -116.3 139.22 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 1.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.415 ' CE2' HG21 ' A' ' 4' ' ' ILE . 96.7 m-85 -118.29 96.41 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -41.85 122.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.06 146.76 50.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 1.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.1 10.6 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.99 17.45 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 1.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.98 135.15 5.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.84 136.08 57.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 t -103.63 98.75 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 1.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.07 142.42 50.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.732 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 8.7 t80 -145.33 108.75 4.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 15' ' ' PHE . 18.1 Cg_exo -64.91 94.34 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.329 3.353 . . . . 1.0 109.618 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.457 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 39.3 t-80 -72.0 -58.26 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 1.0 109.596 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.0 tptt -58.55 -39.11 79.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 16' ' ' PRO . . . -63.34 -51.71 64.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -64.5 -12.61 45.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 1.0 109.631 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.7 mm-40 -83.64 -13.79 53.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 1.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.06 -20.36 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.03 -44.52 10.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 1.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.0 t -110.59 102.77 52.89 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 1.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.76 -70.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.314 3.343 . . . . 1.0 109.593 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -60.55 126.81 28.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 1.0 109.269 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.423 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 74.1 m -93.79 -23.0 18.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 108.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -50.24 -22.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 1.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -66.22 -26.52 67.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.0 m -114.04 -37.23 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 1.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.41 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.6 m-70 -112.6 58.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -57.21 -42.11 80.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 1.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -92.02 38.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 1.0 109.304 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.9 155.17 8.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 1.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.41 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 9.8 Cg_endo -50.94 158.69 2.92 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.301 3.334 . . . . 1.0 109.574 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.44 -164.61 17.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 1.0 111.037 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.74 166.61 23.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 1.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mt -121.06 79.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.18 102.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.7 -16.78 4.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 1.0 111.017 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.453 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 94.6 t80 -50.5 169.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 0.796 . . . . 1.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 135.62 177.7 15.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 1.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.673 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.3 -38.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 1.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.49 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 1.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.475 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 6.8 ttm -78.5 -43.88 25.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 1.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.56 -25.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.673 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.2 m170 -101.16 -57.89 2.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.615 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.26 -143.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 1.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.92 53.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.59 -64.12 0.49 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 1.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.2 m -120.22 -50.28 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -63.67 -26.62 68.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 1.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.25 -41.94 96.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 1.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.632 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 3.7 t -91.08 20.91 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 33.2 m170 -119.41 -68.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.33 -45.5 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 1.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.57 -42.39 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 1.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mtt -97.74 -16.52 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.31 48.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 1.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -154.1 131.11 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 1.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.34 176.82 18.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.551 1.157 . . . . 1.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.482 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.7 Cg_endo -64.69 101.03 0.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.323 3.349 . . . . 1.0 109.588 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -109.18 -14.18 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.41 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.13 164.25 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -7.71 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 108.349 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.53 -0.89 64.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 1.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -102.89 -46.66 4.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 1.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 3.5 m -85.51 -53.0 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 94.9 m-70 -90.79 78.69 6.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 1.0 109.552 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.6 87.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.298 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.518 ' C4B' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.732 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.579 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -48.28 -23.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 1' ' ' ALA . 5.5 t70 -64.94 -176.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.512 HG21 ' CE2' ' A' ' 6' ' ' PHE . 7.8 mt -149.26 134.09 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 1.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 t -116.94 138.53 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 1.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.512 ' CE2' HG21 ' A' ' 4' ' ' ILE . 95.2 m-85 -118.78 99.41 6.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -43.36 131.65 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.37 149.6 42.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 1.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -85.29 12.39 8.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.9 t30 -138.96 18.75 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.82 132.87 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 1.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.43 136.34 49.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 1.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 t -102.96 98.77 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.51 144.42 49.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.704 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 14.5 t80 -146.85 109.97 4.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 22.4 Cg_exo -63.26 96.57 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.293 3.329 . . . . 1.0 109.623 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 28.8 t-80 -72.91 -58.62 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 109.609 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 4.9 tttt -58.24 -40.58 82.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 1.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 16' ' ' PRO . . . -61.79 -51.83 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -64.43 -12.42 43.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 1.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.537 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.6 mm-40 -85.39 -10.92 55.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 1.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.47 -20.43 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.83 -48.96 7.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 1.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.82 101.11 50.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -55.28 -70.32 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.383 3.389 . . . . 1.0 109.59 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -55.51 122.49 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.424 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 69.8 m -91.52 -22.66 20.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 1.0 108.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -50.46 -22.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 1.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -65.62 -25.86 67.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.6 m -116.11 -37.64 3.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 1.0 108.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 91.0 m-70 -112.21 73.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 1.0 109.616 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -42.84 99.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 40.05 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.24 150.89 3.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 1.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.528 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 76.3 Cg_exo -46.12 143.02 7.92 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.308 3.339 . . . . 1.0 109.597 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.85 -156.81 27.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 1.0 111.021 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 165.6 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 1.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.3 mt -121.61 91.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.76 98.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 1.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.62 -11.49 4.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 1.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.464 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 94.2 t80 -54.57 169.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 1.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 137.12 179.31 16.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 1.0 111.041 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.677 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -33.7 -38.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 1.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.3 tt0 -37.4 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.477 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.0 ttm -77.57 -43.21 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 1.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.35 -25.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.677 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 49.5 m170 -102.08 -57.22 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 109.557 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.79 -145.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 1.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.84 53.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.777 . . . . 1.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.477 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.37 -64.31 0.47 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 1.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.7 m -118.28 -51.63 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.52 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -62.89 -25.85 68.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 1.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' OE2' ' A' ' 57' ' ' GLU . . . -68.07 -41.56 86.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 1.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.564 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 1.1 t -91.0 19.06 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' LYS . 41.7 m170 -119.6 -69.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 1.0 109.603 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -49.94 -46.91 52.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 110.351 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -53.11 -31.55 42.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 1.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 mtp -97.01 -18.66 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 66.85 50.75 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 1.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.47 130.47 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.67 174.28 16.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 1.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 44.8 Cg_endo -65.86 96.96 0.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.305 3.337 . . . . 1.0 109.62 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.7 p -104.3 -20.59 13.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 1.0 110.429 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -89.9 164.77 14.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 1.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -9.34 59.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.32 2.17 62.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 1.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -104.63 -43.37 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 1.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.456 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.5 m -88.5 -53.83 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 1.0 108.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.422 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.7 m-70 -87.75 82.39 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.77 87.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 1.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.537 ' C4B' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.704 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.582 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.559 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 1.2 m-20 86.92 -24.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -64.5 -176.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 1.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.477 HG23 ' CE2' ' A' ' 6' ' ' PHE . 3.5 mt -153.96 125.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 1.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.406 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 6.6 t -114.62 138.14 45.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.506 1.129 . . . . 1.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.477 ' CE2' HG23 ' A' ' 4' ' ' ILE . 97.2 m-85 -118.53 99.73 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.31 128.7 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -132.05 151.37 51.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -86.63 14.02 7.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 1.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -148.32 24.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 112.36 133.51 6.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 1.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 0.4 OUTLIER -57.82 138.79 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 1.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 t -102.83 99.52 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 1.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 144.28 48.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.699 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 14.2 t80 -146.45 109.08 4.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 1.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -62.86 94.05 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.353 3.369 . . . . 1.0 109.557 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.456 ' CE1' HE21 ' A' ' 21' ' ' GLN . 31.0 t-80 -71.34 -58.4 3.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 1.0 109.63 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.0 ttpp -57.24 -39.62 75.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.12 -53.54 47.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 1.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -62.35 -15.77 50.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 1.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.513 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 8.7 mm-40 -80.08 -11.93 59.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 110.298 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.22 -34.35 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.63 -51.25 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 61.5 t -98.33 138.22 20.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 64.8 Cg_endo -82.82 -98.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.361 3.374 . . . . 1.0 109.614 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -44.34 127.98 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.42 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 71.2 m -87.24 -22.86 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 1.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -48.4 -23.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 1.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 27' ' ' CYS . 9.6 mmpt? -60.34 -32.88 71.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.3 m -111.64 -34.09 6.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 108.31 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -112.8 57.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.602 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -41.49 69.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.66 38.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.75 160.94 9.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.148 . . . . 1.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -52.51 160.74 3.38 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.263 3.309 . . . . 1.0 109.609 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.49 -165.49 16.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 1.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 162.33 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 1.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.3 mt -114.8 84.45 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.78 103.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 1.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.05 -10.72 5.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.15 . . . . 1.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 48.1 t80 -57.3 163.41 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.766 . . . . 1.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 147.19 172.23 17.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 1.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.656 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 1.8 ptpt -31.24 -42.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 1.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.2 mt-10 -36.89 -68.01 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.469 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.8 OUTLIER -78.85 -47.33 16.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 1.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.91 -24.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.656 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.8 m170 -101.22 -54.52 2.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.58 -138.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 1.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -84.49 49.84 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 1.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.469 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -108.63 -61.41 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 1.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 m -119.7 -55.74 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -60.94 -21.92 63.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' O ' ' OE2' ' A' ' 57' ' ' GLU . . . -67.47 -52.6 29.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 1.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.624 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 11.1 t -87.73 27.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 23.9 m170 -122.69 -67.98 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.592 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' LYS . 7.5 mt-10 -54.69 -48.22 72.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -41.68 -39.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 1.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -97.19 -18.53 19.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLU . 21.2 mmtt 69.03 51.24 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.84 124.45 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.83 174.95 14.8 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 1.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.455 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.6 Cg_endo -64.45 95.82 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.294 3.329 . . . . 1.0 109.563 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 p -106.69 0.6 24.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 110.412 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -110.37 164.95 12.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 1.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -7.81 59.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 1.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.74 3.27 58.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 1.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -109.62 -43.27 4.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 1.0 110.325 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -85.87 -52.69 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 108.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.44 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 99.5 m-70 -88.86 81.39 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.623 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' LYS . 4.3 tttp -170.7 72.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.3 pttp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 1.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.513 ' C4B' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.699 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.567 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 1.0 109.283 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -48.47 -23.09 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 1' ' ' ALA . 6.1 t70 -63.82 -176.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.5 mt -152.21 133.3 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.9 t -120.17 136.83 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -116.33 98.67 6.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.04 124.5 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -130.65 147.05 52.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 1.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -84.58 11.11 9.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.1 t-20 -140.5 19.05 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 116.71 134.59 5.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 1.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.52 135.09 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.753 . . . . 1.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 t -103.08 103.12 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 147.44 40.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.646 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 4.7 t80 -150.42 108.19 3.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -65.26 97.3 0.3 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.31 3.34 . . . . 1.0 109.61 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.449 ' CE1' HE21 ' A' ' 21' ' ' GLN . 36.6 t-80 -71.69 -58.22 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 109.627 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.6 tptt -59.06 -44.9 91.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.16 83.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 1.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.401 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 22.8 m80 -69.92 -13.5 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.612 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.529 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.7 mm-40 -83.97 -12.02 55.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 -19.73 13.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 1.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.14 -47.22 8.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.9 t -109.73 103.54 53.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 1.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -56.4 -70.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.306 3.337 . . . . 1.0 109.631 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.72 126.85 28.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 1.0 109.315 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.432 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 70.1 m -93.21 -22.49 19.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -49.55 -23.11 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' CYS . 1.5 mmtp -64.57 -27.95 69.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.5 m -113.83 -36.75 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 108.323 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -113.72 64.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.586 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -36.49 80.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 1.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 24.05 3.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.35 156.59 32.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 1.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -51.74 153.1 11.9 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.293 3.329 . . . . 1.0 109.624 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.19 -173.13 17.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 1.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 169.35 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.774 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.6 mt -121.02 88.88 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.76 100.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.38 -12.19 4.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 1.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 89.1 t80 -54.13 168.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 1.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.23 176.6 14.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 1.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.672 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.08 -39.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 1.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.5 tt0 -37.37 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 1.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.8 ttm -76.87 -43.43 36.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.03 -24.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.672 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.3 m170 -102.76 -56.66 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 1.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.9 -143.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 1.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -80.15 53.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 1.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.96 -64.18 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 1.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.9 m -118.51 -51.63 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.353 -0.98 . . . . 1.0 108.353 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.451 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -62.46 -27.38 69.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 1.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.54 -42.91 93.3 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.112 . . . . 1.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.535 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 1.2 t -89.63 18.89 5.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 40.9 m170 -119.54 -69.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 1.0 109.612 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -51.63 -44.52 62.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 1.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.55 -43.11 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -99.61 -13.82 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp 67.56 47.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 1.0 109.247 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -151.54 124.72 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.44 176.85 16.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.7 Cg_endo -64.17 99.56 0.29 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.328 3.352 . . . . 1.0 109.58 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.8 p -109.6 -5.6 15.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 1.0 110.366 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -106.49 165.99 10.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -7.88 59.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 1.0 108.286 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.32 1.17 60.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 1.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -105.9 -44.79 4.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 1.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.43 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.4 m -87.04 -54.11 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 1.0 108.235 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.9 m-70 -87.53 71.71 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.32 71.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 1.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.529 ' C4B' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.646 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.576 ' C2A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.52 -24.62 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.16 -176.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.513 HG23 ' CE2' ' A' ' 6' ' ' PHE . 6.0 mt -153.11 133.04 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.425 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 4.0 t -119.28 137.26 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.513 ' CE2' HG23 ' A' ' 4' ' ' ILE . 96.7 m-85 -118.3 105.35 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.6 131.59 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -136.4 150.65 48.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 1.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -86.15 12.85 8.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.453 ' OD1' ' ND1' ' A' ' 69' ' ' HIS . 2.7 p30 -146.16 23.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 111.82 134.09 6.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 1.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -56.88 137.96 54.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 1.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.4 t -102.02 102.02 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 145.08 43.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.668 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 12.7 t80 -146.61 108.89 4.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 1.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 23.2 Cg_exo -63.03 96.42 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.318 3.346 . . . . 1.0 109.623 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -73.48 -56.49 4.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 109.594 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -60.86 -41.7 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 16' ' ' PRO . . . -60.08 -54.93 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.404 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 21.8 m80 -58.35 -23.44 56.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 1.0 109.594 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.629 ' OE1' ' C4B' ' A' ' 101' ' ' HEM . 0.0 OUTLIER -74.15 -12.09 60.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.34 -24.07 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.54 -49.33 6.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 64.1 t -97.52 138.55 21.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 1.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 40.3 Cg_endo -85.67 -101.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.339 3.359 . . . . 1.0 109.64 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -41.7 133.06 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 1.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.427 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 71.5 m -91.63 -25.36 19.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 108.258 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.2 -24.76 0.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 27' ' ' CYS . 20.9 mmtt -59.29 -33.37 71.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 1.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 84.6 m -111.76 -33.45 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 1.0 108.306 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -112.73 63.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.557 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -59.68 -40.43 87.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 35.64 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.26 160.17 14.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 1.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.76 162.28 1.07 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.314 3.343 . . . . 1.0 109.589 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.78 -160.49 17.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.445 1.091 . . . . 1.0 110.972 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.58 165.09 21.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.9 mt -117.22 86.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.56 99.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.88 -12.93 4.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 1.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 35.8 t80 -54.93 161.04 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 0.728 . . . . 1.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 150.87 171.03 18.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 1.0 110.971 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.654 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.51 -42.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 1.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.2 mm-40 -36.63 -64.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 1.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.469 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 1.2 ttp -82.83 -44.31 15.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.05 -23.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 1.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.654 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 46.5 m170 -102.93 -52.65 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 1.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.29 -138.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 1.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 2.9 ttmm -85.99 48.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 1.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.469 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -106.88 -62.8 0.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 1.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.7 m -116.88 -56.08 2.3 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.304 -0.998 . . . . 1.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -61.5 -20.61 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.16 -57.32 10.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 1.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.621 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 22.2 t -85.82 30.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 20.3 m170 -123.27 -67.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 109.555 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -54.49 -47.54 72.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -46.59 -30.63 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.9 mtp -99.47 -20.08 16.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? 69.12 50.64 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -164.61 134.96 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.4 175.69 18.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.515 1.134 . . . . 1.0 111.052 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -65.85 98.11 0.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.336 3.357 . . . . 1.0 109.587 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 p -109.11 -9.53 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.424 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.7 163.26 12.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 1.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.94 -4.51 50.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 1.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -103.06 5.19 49.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 1.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.63 -43.75 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 1.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.446 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -86.32 -52.18 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 108.317 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.464 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.3 m-70 -89.69 82.49 6.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.69 86.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tptt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 1.0 109.261 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.629 ' C4B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.668 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.567 ' C2A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.51 -24.03 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.48 -176.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.453 HG21 ' CE2' ' A' ' 6' ' ' PHE . 3.7 mt -154.19 131.81 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 1.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.472 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 19.6 t -115.29 142.11 29.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.453 ' CE2' HG21 ' A' ' 4' ' ' ILE . 92.6 m-85 -122.67 97.62 5.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -40.17 122.89 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 1.0 109.237 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.6 151.99 47.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 1.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -86.71 13.9 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.229 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -145.96 23.46 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.73 134.12 6.57 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.118 . . . . 1.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.472 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -51.91 140.9 18.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 1.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 t -106.72 93.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 142.1 57.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.65 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 10.2 t80 -146.55 110.5 4.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 19.2 Cg_exo -64.72 94.13 0.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.306 3.337 . . . . 1.0 109.601 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.447 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 35.1 t-80 -71.55 -57.95 3.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.616 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -58.75 -40.56 84.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.243 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 16' ' ' PRO . . . -62.02 -51.15 69.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -64.49 -13.72 53.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 1.0 109.56 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.534 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.8 mm-40 -84.27 -12.27 54.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 1.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -21.46 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.87 -46.23 11.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 1.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 91.4 t -108.71 138.72 20.36 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.453 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 67.0 Cg_endo -82.72 -98.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.375 3.384 . . . . 1.0 109.601 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' PRO . 26.7 t70 -39.6 126.79 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.406 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 72.9 m -91.03 -21.13 21.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -50.75 -24.47 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 1.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -62.98 -25.63 68.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 84.7 m -114.88 -38.26 3.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 108.306 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 95.6 m-70 -110.94 73.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -37.81 88.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.1 40.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.04 150.05 2.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 1.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.533 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 77.3 Cg_exo -46.2 134.79 15.29 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.29 3.327 . . . . 1.0 109.564 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.4 -173.98 25.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 1.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 156.13 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -112.67 98.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 1.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.86 101.12 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.69 -3.3 6.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 1.0 111.039 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -61.92 166.81 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 1.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 141.35 172.57 13.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 1.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.69 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.33 -42.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 1.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' GLY . 14.4 mt-10 -37.25 -73.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 1.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.489 ' HG3' ' CA ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -71.91 -50.68 27.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.986 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.97 -27.16 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.69 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.4 m170 -99.74 -57.04 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 1.0 109.586 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.23 -143.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.551 1.157 . . . . 1.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.6 53.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 0.719 . . . . 1.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.489 ' CA ' ' HG3' ' A' ' 45' ' ' MET . . . -112.0 -63.65 0.48 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 1.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.6 m -119.25 -50.81 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HE2' ' CHC' ' A' ' 103' ' ' HEM . 1.3 mttp -63.24 -26.21 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.6 -43.95 83.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 1.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.536 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 1.0 OUTLIER -89.47 19.14 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.28 -1.007 . . . . 1.0 108.28 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 40.5 m170 -119.75 -68.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.624 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -49.53 -44.77 46.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -42.8 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 1.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mtt -97.93 -15.89 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 1.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.2 49.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.69 130.44 10.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.2 176.92 17.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.479 1.112 . . . . 1.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 35.7 Cg_endo -64.33 99.69 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 124.331 3.354 . . . . 1.0 109.562 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -108.9 -10.37 15.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 1.0 110.419 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -100.3 163.23 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -5.6 54.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 1.0 108.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.45 1.35 58.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 1.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -105.5 -45.09 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 1.0 110.287 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.7 m -86.81 -53.45 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 108.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.6 m-70 -89.07 79.6 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 1.0 109.567 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -171.52 71.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 109.259 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.534 ' C4B' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.65 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.584 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -45.26 -24.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' N ' ' C ' ' A' ' 1' ' ' ALA . 6.5 t70 -54.06 -176.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.6 mt -153.83 131.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 109.3 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.418 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 21.9 t -115.14 139.64 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -120.18 106.44 11.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 1.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -46.3 128.77 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 1.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.493 ' HB2' ' CGD' ' A' ' 103' ' ' HEM . . . -131.2 146.82 52.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 1.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.04 10.93 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -143.87 21.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 113.69 131.85 5.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.147 . . . . 1.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -49.54 149.7 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 1.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 t -116.39 90.39 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 142.9 58.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.659 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 8.9 t80 -147.76 108.69 3.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 1.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HB3' ' HB2' ' A' ' 19' ' ' ALA . 22.2 Cg_exo -63.42 93.21 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.267 3.311 . . . . 1.0 109.616 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 32.6 t-80 -70.5 -57.87 4.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.611 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -58.56 -41.26 85.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 1.0 109.344 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' A' ' 16' ' ' PRO . . . -61.79 -50.69 71.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 1.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -65.03 -14.28 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 1.0 109.61 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.511 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.8 mm-40 -82.95 -12.43 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 1.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.94 -21.56 12.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 1.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.4 -46.74 9.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 1.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.2 t -111.65 101.55 51.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.12 -70.48 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.346 . . . . 1.0 109.608 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -57.11 125.01 20.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.428 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 82.0 m -92.75 -24.55 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 108.325 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -49.84 -23.33 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 1.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -26.82 68.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 1.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 91.9 m -114.66 -37.94 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 108.257 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -109.74 66.01 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 1.0 109.615 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -40.28 94.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -94.89 38.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 1.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.19 164.75 22.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 1.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -54.88 161.45 6.28 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.285 3.323 . . . . 1.0 109.6 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.52 -171.86 14.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 1.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 164.12 20.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.4 HD11 ' CGD' ' A' ' 101' ' ' HEM . 19.4 mt -114.56 87.14 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 1.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.17 100.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.69 -5.44 5.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.437 1.086 . . . . 1.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.78 168.86 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.06 175.77 14.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 1.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.676 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -32.83 -39.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 1.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -36.57 -77.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.467 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.1 ttm -73.89 -47.32 38.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 1.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -43.51 -26.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 1.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.676 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.9 m170 -99.95 -57.79 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 109.631 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.14 -142.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 1.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 4.3 mmtt -79.77 53.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 1.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.24 -62.78 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 1.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 m -121.28 -52.75 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.479 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 11.5 mtmt -61.24 -28.12 68.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 1.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.87 -42.03 93.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 1.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.535 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 0.8 OUTLIER -90.21 18.44 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.5 m170 -119.75 -69.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 1.0 109.575 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -50.63 -43.92 57.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -43.93 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.61 -13.28 19.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 67.16 47.82 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -150.56 123.78 8.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.07 177.31 16.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 1.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.17 100.76 0.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.308 3.338 . . . . 1.0 109.607 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 p -109.81 -7.17 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.388 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -102.97 164.45 11.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -9.23 59.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 108.308 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.86 1.05 61.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 1.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -43.18 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 1.0 110.364 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.429 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.6 m -87.4 -54.43 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 1.0 108.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.451 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.2 m-70 -87.11 75.18 9.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.605 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.29 80.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.511 ' C4B' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.659 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.599 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.37 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 109.342 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -61.84 -177.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 1.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.535 HG22 ' CE2' ' A' ' 6' ' ' PHE . 7.8 mt -157.44 133.53 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 t -118.58 135.6 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CE2' HG22 ' A' ' 4' ' ' ILE . 95.2 m-85 -116.83 103.14 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 1.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -44.96 129.89 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 1.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.09 149.73 46.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.274 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -85.54 13.1 7.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -140.5 20.14 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.1 134.02 6.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.127 . . . . 1.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.2 138.16 32.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 1.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.41 90.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 1.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 142.27 58.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.619 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 13.6 t80 -143.4 112.58 5.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 1.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -64.59 96.0 0.24 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.292 3.328 . . . . 1.0 109.626 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -70.24 -55.44 9.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.61 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.2 ttmm -62.72 -51.1 68.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 1.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.67 -44.41 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.431 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 19.2 m80 -70.26 -21.33 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.501 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.2 mm-40 -76.39 -12.7 60.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -104.35 -28.56 11.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.22 -48.98 11.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.4 t -103.64 135.34 19.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 1.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -82.85 -97.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.37 3.38 . . . . 1.0 109.584 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -42.88 124.44 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.268 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.409 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 80.1 m -85.84 -21.22 28.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 1.0 108.313 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -50.22 -22.83 1.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 1.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -63.26 -28.84 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.8 m -113.25 -36.48 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.2 m-70 -112.58 70.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 109.561 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.28 96.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.68 40.3 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.95 150.61 2.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 1.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.536 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 75.6 Cg_exo -46.05 149.47 2.32 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.335 3.357 . . . . 1.0 109.604 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.67 -157.38 25.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 1.0 111.037 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.37 162.8 24.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 1.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.83 86.8 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.14 102.02 0.77 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 1.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.54 -10.05 5.82 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.539 1.149 . . . . 1.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 37.2 t80 -55.36 161.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 1.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 149.42 172.08 18.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 1.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.642 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 1.4 ptpt -31.22 -42.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 1.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' GLY . 23.8 mt-10 -37.09 -69.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.465 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.5 OUTLIER -76.91 -47.39 21.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 111.022 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.73 -23.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.642 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 56.8 m170 -101.92 -55.28 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 109.619 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.61 -142.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 1.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 6.8 pttp -82.16 50.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 1.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.465 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -109.32 -63.2 0.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 1.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 m -117.44 -57.36 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -59.7 -23.42 63.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.45 -48.38 57.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 1.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.552 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 4.5 t -89.14 23.35 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 34.0 m170 -120.76 -68.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -52.7 -45.71 67.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 1.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.38 -42.73 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 1.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.09 -15.66 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 1.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.95 47.1 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.3 126.21 10.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 1.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.82 178.84 17.37 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 1.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.427 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 60.8 Cg_endo -67.69 100.34 0.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.283 3.322 . . . . 1.0 109.613 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -109.92 -9.84 14.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 110.373 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.68 163.34 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -5.33 52.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 108.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.97 3.73 55.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.157 . . . . 1.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -108.64 -45.57 3.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 1.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.439 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -85.09 -52.1 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 108.291 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.452 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.0 m-70 -90.36 84.23 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 109.57 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -172.81 88.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.436 ' CMB' ' CBB' ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.619 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.574 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.336 -0.616 . . . . 1.0 109.336 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -49.2 -25.38 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.444 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -64.32 -176.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.446 HG21 ' CE2' ' A' ' 6' ' ' PHE . 5.8 mt -155.62 132.14 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 t -116.32 139.5 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.446 ' CE2' HG21 ' A' ' 4' ' ' ILE . 95.5 m-85 -119.39 105.06 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.26 127.91 11.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.64 145.37 46.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.33 9.61 10.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 11.3 t30 -136.1 15.95 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.4 134.62 5.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 1.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.97 139.08 47.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 1.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 t -108.6 99.72 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 1.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 147.49 43.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.635 ' CE1' ' C4B' ' A' ' 102' ' ' HEM . 3.5 t80 -149.86 108.23 3.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.469 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 19.5 Cg_exo -64.57 99.75 0.32 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.308 3.339 . . . . 1.0 109.575 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -72.39 -54.55 9.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 1.0 109.604 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.8 ttpt -65.48 -52.59 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.33 -45.25 17.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.474 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 18.5 m80 -67.18 -28.14 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.509 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 9.3 mm-40 -68.9 -12.06 61.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 1.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.46 -30.67 9.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.37 -46.73 13.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 1.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.447 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 99.1 t -102.86 138.97 19.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.447 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 37.4 Cg_endo -86.21 -101.63 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.319 3.346 . . . . 1.0 109.628 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -41.17 131.34 2.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.8 m -91.97 -23.12 19.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 108.322 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -49.14 -24.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -61.45 -31.82 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.3 m -108.36 -36.31 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 108.323 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' CE1' ' ND ' ' A' ' 101' ' ' HEM . 87.0 m-70 -113.15 61.12 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 1.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -41.8 93.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 34.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.44 159.84 26.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 1.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -53.49 153.71 17.3 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.271 3.314 . . . . 1.0 109.566 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.86 -178.71 16.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 1.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 174.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 1.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.51 ' CD1' ' O2D' ' A' ' 101' ' ' HEM . 26.2 mt -126.15 92.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.25 102.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.46 -7.79 5.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.142 . . . . 1.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.414 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 86.6 t80 -57.57 167.4 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 1.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 139.33 175.21 13.98 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.453 1.096 . . . . 1.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.694 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.32 -39.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 1.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -36.95 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.1 ttm -75.72 -46.8 29.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.85 -27.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.694 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 53.0 m170 -98.88 -59.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 109.556 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.33 -141.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.143 . . . . 1.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -79.51 53.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 1.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -113.01 -61.53 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 1.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 33.5 m -122.69 -53.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.496 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -60.61 -30.58 69.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 1.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -64.88 -40.03 96.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 1.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.575 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 0.6 OUTLIER -90.63 18.72 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.287 -1.005 . . . . 1.0 108.287 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -119.67 -69.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -49.29 -42.36 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.97 -46.88 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 1.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -10.17 25.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 1.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp 63.37 45.94 4.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.248 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HB3' ' CBD' ' A' ' 102' ' ' HEM . 2.7 mtmt -146.18 126.38 13.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.02 179.49 17.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 1.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.448 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 47.6 Cg_endo -66.52 104.16 0.75 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.306 3.337 . . . . 1.0 109.545 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.7 p -111.59 -2.83 15.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 110.421 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -107.51 164.84 11.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 1.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -8.99 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 108.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.16 -0.13 63.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 2.5 tp10 -103.38 -43.37 5.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 1.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.437 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.8 m -87.94 -54.03 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 108.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.45 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.4 m-70 -88.52 73.91 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 1.0 109.587 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' LYS . 6.5 tttt -167.12 75.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.51 ' O2D' ' CD1' ' A' ' 38' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.635 ' C4B' ' CE1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.568 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.567 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 4.0 m-20 87.88 -25.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.3 t70 -64.7 -176.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 3.5 mt -154.74 131.14 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.1 t -117.61 136.63 54.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -117.03 107.56 14.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.0 131.78 12.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -137.65 146.63 44.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 1.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 11.53 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 2.4 t30 -141.84 20.63 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 1.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 113.96 135.5 6.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 1.0 111.038 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.59 141.58 47.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 1.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 t -108.63 98.24 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 1.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 146.54 47.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.66 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 10.1 t80 -149.15 109.08 3.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -63.29 90.29 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.365 3.377 . . . . 1.0 109.576 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -65.19 -54.13 34.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.642 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.8 tttt -63.09 -55.84 21.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 1.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.27 -49.68 12.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.446 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 22.2 m80 -63.13 -29.65 70.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 1.0 109.628 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.614 ' OE1' ' C4B' ' A' ' 101' ' ' HEM . 0.0 OUTLIER -70.41 -12.72 61.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 1.0 110.328 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 -24.43 14.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.15 -50.06 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 60.1 t -97.66 138.39 21.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 40.6 Cg_endo -85.93 -100.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.3 3.334 . . . . 1.0 109.612 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -41.36 131.95 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 109.296 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.414 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 77.0 m -90.79 -23.84 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 1.0 108.33 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -47.98 -24.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' CYS . 6.4 mmpt? -59.82 -33.71 72.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 1.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.86 -35.04 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 108.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -111.39 58.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 1.0 109.545 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -52.97 -40.75 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 1.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -94.21 42.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 1.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.85 161.68 5.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.519 1.137 . . . . 1.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -50.66 161.17 1.4 Allowed 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.325 3.35 . . . . 1.0 109.643 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.08 164.66 13.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 1.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.28 168.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 1.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.4 mt -114.7 99.58 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.56 53.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.26 35.2 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.115 . . . . 1.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 68.7 t80 -99.43 170.34 8.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 1.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 137.47 169.37 11.61 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.556 1.16 . . . . 1.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.652 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.42 -42.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 1.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -35.71 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 1.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.465 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.7 ttm -74.0 -48.04 33.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.17 -25.3 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 1.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.652 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 57.5 m170 -100.95 -57.55 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.94 -143.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 1.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -79.74 53.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 1.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.465 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.5 -62.16 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 1.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 m -120.28 -54.89 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HD2' ' C2C' ' A' ' 103' ' ' HEM . 0.2 OUTLIER -60.96 -25.05 66.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.42 -46.9 74.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 1.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.619 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 5.4 t -89.92 24.38 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.296 -1.001 . . . . 1.0 108.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 31.1 m170 -121.32 -69.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 1.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.8 mt-10 -50.28 -47.0 55.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.54 -43.32 1.84 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 1.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.18 -18.25 20.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER 69.96 51.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.71 129.49 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.18 178.09 17.13 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.529 1.143 . . . . 1.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.462 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 50.8 Cg_endo -66.94 94.38 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.328 3.352 . . . . 1.0 109.582 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -103.38 -14.33 16.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 1.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 164.08 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -79.2 -7.78 58.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.22 3.19 59.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 1.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -107.35 -45.68 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 1.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.428 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -85.01 -53.57 5.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 108.288 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.447 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 99.3 m-70 -87.62 79.82 8.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.603 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 71' ' ' LYS . 4.6 ttpt -118.21 -112.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' N ' ' HG2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 1.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.614 ' C4B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.66 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.579 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -23.55 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.414 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.9 t70 -62.3 -176.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 4.0 mt -154.65 130.29 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 1.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.434 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 15.7 t -115.63 137.1 50.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -117.95 108.02 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -48.09 130.33 15.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -135.07 148.23 49.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 1.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.74 13.0 7.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.1 t30 -144.72 22.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 1.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 112.9 135.39 6.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 1.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 0.5 OUTLIER -56.72 143.33 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.754 . . . . 1.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 t -110.13 97.8 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.55 144.72 49.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.615 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 11.5 t80 -146.8 109.3 4.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 1.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -64.1 86.73 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.347 3.365 . . . . 1.0 109.623 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -62.75 -54.17 43.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 1.0 109.583 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -62.18 -54.85 35.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 109.246 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.88 -44.96 29.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.429 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 20.2 m80 -68.58 -26.28 65.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 1.0 109.577 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.483 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.0 mm-40 -71.87 -12.71 61.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 1.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.16 -23.59 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.62 -49.89 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 1.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.3 t -102.98 134.62 19.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -82.69 -97.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.327 3.352 . . . . 1.0 109.566 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -41.13 122.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 1.0 109.28 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.414 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 78.4 m -86.66 -22.09 26.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 108.301 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -49.12 -24.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.18 -31.06 70.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 82.8 m -112.04 -36.27 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 108.271 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -111.97 62.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.627 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -58.4 -40.5 82.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.91 36.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.89 156.81 10.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.545 1.153 . . . . 1.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -49.89 163.44 0.53 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.271 3.314 . . . . 1.0 109.631 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.53 -155.46 17.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 1.0 111.029 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 170.11 13.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.84 101.05 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.92 51.63 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.23 35.0 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 1.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -98.66 169.82 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.733 . . . . 1.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.09 169.92 11.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 1.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.673 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.34 -42.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 1.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.6 mt-10 -35.87 -75.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 1.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.472 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.7 ttm -72.88 -47.69 43.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 1.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.25 -25.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.673 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.2 m170 -100.8 -57.25 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.85 -144.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 1.0 111.013 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -79.07 53.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 1.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.42 -62.33 0.45 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 1.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 m -120.46 -53.32 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.276 -1.009 . . . . 1.0 108.276 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 9.9 mtmt -61.35 -26.14 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.86 -42.82 85.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 1.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.529 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 1.1 t -90.19 18.89 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.1 m170 -119.53 -70.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.593 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -48.9 -44.59 40.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.72 -43.94 4.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.56 -11.94 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 1.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp 65.42 45.93 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -147.53 125.79 12.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.18 178.21 17.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.453 1.096 . . . . 1.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 57.9 Cg_endo -67.46 98.28 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.281 3.32 . . . . 1.0 109.59 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 p -106.09 -14.79 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 110.42 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 164.79 12.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.51 -7.69 58.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.7 3.53 59.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 1.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -108.0 -42.79 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 1.0 110.319 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.432 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -87.83 -55.14 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 1.0 108.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.438 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 99.1 m-70 -85.73 79.65 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 1.0 109.609 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.39 -110.61 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 1.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.419 ' CMB' ' CBB' ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.615 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.583 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.7 -28.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 1.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.487 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.6 t70 -71.23 -176.31 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.6 mt -157.18 134.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 1.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.47 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 6.7 t -118.57 138.39 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -120.13 109.35 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 1.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.09 129.09 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -135.09 146.06 48.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -86.66 13.56 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 2.3 m-20 -145.76 22.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 113.4 133.53 5.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 1.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.47 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 2.4 m-20 -54.9 139.45 40.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 1.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 3.0 t -103.47 84.33 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 142.3 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CE1' ' C1B' ' A' ' 102' ' ' HEM . 50.9 t80 -148.2 117.81 4.19 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.513 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 94.0 Cg_endo -76.63 103.51 1.76 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.297 3.332 . . . . 1.0 109.612 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 50.8 t-80 -74.47 -53.28 9.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 109.626 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.9 ttmt -49.67 -39.72 37.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -62.54 -61.34 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.419 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 50.7 m80 -57.61 -16.31 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.6 ' NE2' ' CHC' ' A' ' 101' ' ' HEM . 2.2 mm-40 -77.8 -14.62 59.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -35.82 4.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.49 -52.62 63.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 1.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 57.3 t -107.92 138.81 20.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 1.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 87.8 Cg_endo -81.91 -93.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.315 3.344 . . . . 1.0 109.608 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -41.96 126.22 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 1.0 109.284 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.423 ' SG ' ' CHC' ' A' ' 101' ' ' HEM . 66.7 m -90.15 -23.48 21.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 1.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -49.82 -21.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 1.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 27' ' ' CYS . 4.0 mmmp? -65.19 -29.49 70.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.2 m -113.63 -35.83 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 108.316 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 92.0 m-70 -112.86 70.71 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 1.0 109.577 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -39.88 92.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' NZ ' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -96.12 41.07 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 1.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' C ' ' HB3' ' A' ' 31' ' ' HIS . . . 74.88 150.4 2.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 1.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.527 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 74.6 Cg_exo -45.34 160.31 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.299 3.333 . . . . 1.0 109.611 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.88 -164.12 18.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 1.0 111.023 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 159.33 32.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 1.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.3 mt -108.39 104.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' HG2' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -80.36 50.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.63 34.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 1.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -98.08 168.56 10.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 1.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 139.42 168.78 11.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 1.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.658 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -32.14 -40.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 1.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 3.4 mm-40 -36.95 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 1.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.468 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.5 ttm -76.8 -45.1 30.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.15 -24.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.658 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.8 m170 -102.16 -57.62 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 109.646 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.23 -146.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 1.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 52.84 1.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 1.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.97 -63.53 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 1.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.5 m -117.67 -51.97 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.549 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -64.12 -23.16 67.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.03 -49.66 56.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 1.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.646 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 6.0 t -87.87 24.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.475 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 28.4 m170 -120.58 -68.89 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.68 -45.59 70.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 1.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -40.83 -43.12 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.04 -13.97 18.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 1.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt 67.19 46.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.77 122.86 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 1.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.51 176.25 16.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 1.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.27 100.7 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.315 3.343 . . . . 1.0 109.626 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.2 p -111.05 -2.02 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 110.409 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -108.38 164.55 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -8.9 59.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 1.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.23 4.19 58.53 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 1.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.49 -43.46 4.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 1.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.446 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -87.42 -54.25 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 108.278 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.459 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.5 m-70 -87.22 79.06 8.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 71' ' ' LYS . 33.0 tttt -166.52 73.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 1.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 1.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.6 ' CHC' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.646 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.574 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.403 ' OD2' ' CE ' ' A' ' 14' ' ' LYS . 23.5 t0 -57.33 -176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 1.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.1 mt -153.4 131.68 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.613 HG12 ' OD1' ' A' ' 12' ' ' ASP . 18.3 t -114.71 136.62 50.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -117.19 103.12 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.35 121.47 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -123.86 151.42 43.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.2 12.79 9.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.5 t-20 -143.62 21.52 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 1.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.767 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.69 133.48 6.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 1.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.613 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -50.57 148.77 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 1.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.493 ' O ' HG12 ' A' ' 13' ' ' VAL . 5.2 t -117.78 92.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' CE ' ' OD2' ' A' ' 3' ' ' ASP . 2.2 mttp -66.26 141.09 58.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 4.4 t80 -145.02 107.96 4.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.725 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.6 Cg_exo -63.15 95.65 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.309 3.339 . . . . 1.0 109.602 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.438 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 36.9 t-80 -73.09 -58.19 3.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 1.0 109.611 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 24.0 tptt -58.82 -40.58 84.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -61.74 -50.7 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -64.92 -13.81 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 1.0 109.578 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -84.0 -13.41 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -22.52 12.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.28 -45.93 11.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.645 HG13 ' HD2' ' A' ' 25' ' ' PRO . 87.0 t -104.79 139.17 19.83 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.645 ' HD2' HG13 ' A' ' 24' ' ' VAL . 76.8 Cg_endo -83.09 -97.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.317 3.345 . . . . 1.0 109.587 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.485 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 13.0 t70 -44.58 130.12 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 109.293 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 75.2 m -91.82 -20.99 20.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 108.304 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -22.62 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -64.78 -25.63 68.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.7 m -114.75 -37.53 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.0 108.288 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.531 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 42.5 m80 -111.18 73.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.0 109.568 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -36.28 83.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -100.03 41.13 1.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 1.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.43 150.01 1.93 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.531 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 76.8 Cg_exo -46.26 137.44 14.13 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.298 3.332 . . . . 1.0 109.612 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.06 -157.39 27.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 1.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 157.93 29.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 1.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.0 mt -115.24 89.53 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -66.89 99.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 1.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.28 -7.99 5.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 1.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 93.3 t80 -58.08 168.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 1.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.492 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 136.68 179.47 16.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 1.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.637 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.55 -38.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 1.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.37 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 1.0 110.282 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.471 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.2 ttm -75.58 -45.26 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 1.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -43.56 -26.82 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 1.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.637 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 6.8 m-70 -100.44 -57.96 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.23 -142.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 1.0 111.051 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 13.8 ttmt -79.89 53.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 1.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.471 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.27 -63.31 0.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 1.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -120.87 -50.94 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 8.8 mtmt -63.73 -25.07 68.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 1.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.44 -44.81 82.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 1.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.1 t -89.91 21.54 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 2.0 m-70 -120.18 -68.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.604 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.22 -45.45 61.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 1.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.11 -43.07 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -97.05 -16.53 20.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.06 49.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 128.84 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.97 176.78 17.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 1.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.484 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.3 Cg_endo -64.18 96.48 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.322 3.348 . . . . 1.0 109.624 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.1 p -105.13 -15.85 14.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 110.43 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.42 164.23 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 -6.96 58.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.48 0.69 61.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 1.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -104.32 -45.19 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 1.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.02 -53.5 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 1.0 108.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.2 m-70 -89.2 82.96 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 1.0 109.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.435 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.2 t70 -59.52 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 6.1 mt -154.98 134.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.741 HG12 ' OD2' ' A' ' 12' ' ' ASP . 4.3 t -118.86 131.66 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -112.66 105.95 14.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 111.034 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.8 130.81 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 1.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.867 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -133.15 150.95 52.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -86.32 13.02 8.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -147.56 24.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.867 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.05 133.29 6.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 1.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.741 ' OD2' HG12 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -53.99 146.84 13.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 1.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 t -113.14 98.4 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 145.98 48.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 13.2 t80 -147.89 108.43 3.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 1.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.725 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 24.2 Cg_exo -62.29 85.15 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.31 3.34 . . . . 1.0 109.603 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -61.71 -52.47 64.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 1.0 109.632 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -63.84 -56.31 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.725 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -46.29 -47.22 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -65.04 -29.84 70.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 12.7 mm-40 -69.14 -13.13 62.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.93 -24.72 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.06 -49.64 6.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -94.52 124.19 56.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HG2' ' H ' ' A' ' 26' ' ' ASP . 72.3 Cg_endo -74.94 -95.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.367 3.378 . . . . 1.0 109.55 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 40.9 t0 -49.32 131.26 20.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 1.0 109.31 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 29' ' ' LYS . 73.6 m -89.28 -23.51 22.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.58 -23.92 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 27' ' ' CYS . 2.3 mmtt -61.0 -29.59 69.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.5 m -114.79 -36.82 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 108.32 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -109.18 62.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -41.4 88.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.58 37.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.63 157.2 8.88 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 1.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.3 163.04 0.69 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.343 3.362 . . . . 1.0 109.547 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.54 -173.81 15.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 1.0 111.005 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 162.44 19.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.5 mt -117.05 84.67 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 99.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 1.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.82 -11.88 4.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 1.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.49 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 89.4 t80 -56.69 171.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 1.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 135.82 -179.55 17.67 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.479 1.112 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.643 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.24 -38.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 1.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.4 mt-10 -37.28 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.471 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.8 ttm -76.26 -43.07 43.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.21 -25.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.643 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 6.7 m-70 -102.57 -56.22 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.97 -143.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.15 . . . . 1.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -80.39 53.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 1.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.471 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.51 -64.1 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.118 . . . . 1.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.7 m -117.37 -52.49 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.305 -0.998 . . . . 1.0 108.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.468 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 11.7 mtmt -63.87 -23.38 67.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 1.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.56 -52.41 34.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 1.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 13.3 t -87.61 27.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.468 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 1.5 m-70 -122.57 -68.16 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 109.642 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.17 -47.35 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 1.0 110.231 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.45 -32.6 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.0 mtp -97.93 -19.26 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.36 50.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -163.92 132.05 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.11 176.48 18.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.11 . . . . 1.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.409 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 58.9 Cg_endo -67.48 99.17 0.5 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.293 3.329 . . . . 1.0 109.632 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 p -108.54 -12.85 14.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 1.0 110.381 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 164.64 12.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 1.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -79.31 -6.51 56.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.97 4.57 56.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 1.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -108.94 -42.69 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 1.0 110.303 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.03 -54.36 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 1.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.7 m-70 -87.01 79.98 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.645 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 tttt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.0 109.305 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.418 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.0 t70 -63.02 -176.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 4.1 mt -154.97 133.23 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.759 HG12 ' OD1' ' A' ' 12' ' ' ASP . 5.5 t -118.25 136.84 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -117.79 108.01 14.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 1.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -47.6 128.26 12.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 1.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.867 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -130.9 149.91 52.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -85.83 12.81 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -146.49 23.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.867 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.98 133.84 6.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 1.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.759 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -53.4 145.42 14.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 1.0 109.267 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.475 ' O ' HG12 ' A' ' 13' ' ' VAL . 4.5 t -111.75 94.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 1.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 145.21 54.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.464 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 13.2 t80 -148.67 111.21 3.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.725 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 20.4 Cg_exo -64.25 93.41 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.28 3.32 . . . . 1.0 109.592 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -67.56 -53.64 26.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -64.89 -56.0 15.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.725 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -43.8 -49.16 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -62.78 -34.23 76.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 1.0 109.58 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.494 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 14.1 mm-40 -64.66 -11.53 36.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 1.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -103.42 -25.5 13.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 1.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.17 -49.58 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 1.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.504 HG13 ' HD2' ' A' ' 25' ' ' PRO . 59.1 t -102.67 136.15 19.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.504 ' HD2' HG13 ' A' ' 24' ' ' VAL . 60.8 Cg_endo -83.94 -98.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.32 3.346 . . . . 1.0 109.576 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.476 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 9.5 t70 -39.9 129.34 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 109.34 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.401 ' C ' ' N ' ' A' ' 29' ' ' LYS . 82.9 m -90.77 -22.36 21.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 108.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -23.59 1.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 1.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 27' ' ' CYS . 8.6 mmpt? -61.58 -30.0 70.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 1.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.8 m -113.39 -36.11 5.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 108.283 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 39.6 m80 -112.32 68.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 1.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -40.69 87.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 1.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.69 40.89 1.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' C ' ' HB3' ' A' ' 31' ' ' HIS . . . 75.23 150.03 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 1.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.529 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 73.3 Cg_exo -45.29 156.3 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.283 3.322 . . . . 1.0 109.607 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.68 -155.97 21.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 1.0 110.998 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.68 163.2 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 1.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.5 mt -114.26 102.27 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 1.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -79.55 50.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 178.38 34.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 1.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -98.44 169.47 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 1.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.55 171.03 12.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 1.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.66 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.87 -41.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.765 . . . . 1.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.2 mm-40 -36.53 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.476 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.6 ttm -72.8 -46.73 51.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 1.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.88 -25.52 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.66 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 6.6 m-70 -101.71 -57.17 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.46 -145.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -78.55 53.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 1.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -113.31 -64.34 0.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 1.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 m -117.62 -52.99 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 2.1 mtmt -62.19 -26.33 68.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.431 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.57 -43.04 87.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 1.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.81 18.93 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.247 -1.02 . . . . 1.0 108.247 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 2.3 m-70 -119.73 -69.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.594 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.16 -46.04 61.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 1.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -51.91 -33.27 36.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 mtp -98.23 -15.33 19.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 64.03 50.83 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.33 130.9 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.46 176.99 18.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.61 99.15 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.322 3.348 . . . . 1.0 109.617 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 p -110.17 -3.02 16.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 110.358 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.44 164.89 11.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 1.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -80.19 -9.43 59.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 108.28 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.39 3.9 59.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 1.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.08 -44.75 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 1.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.17 -53.6 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 1.0 108.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -87.57 81.18 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.0 109.637 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -60.44 -176.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 6.4 mt -155.93 131.57 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.655 HG12 ' OD1' ' A' ' 12' ' ' ASP . 4.7 t -117.92 135.89 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -116.86 99.95 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 1.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 131.45 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.866 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -134.71 151.36 50.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.97 13.99 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.6 m-20 -148.25 23.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 1.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.866 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.49 133.21 5.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 1.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.655 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -58.51 141.47 51.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 1.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.1 t -105.76 102.33 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 1.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 143.0 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -144.63 107.68 4.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.774 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 23.7 Cg_exo -62.64 93.7 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.308 3.339 . . . . 1.0 109.62 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.457 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 46.0 t60 -69.55 -56.87 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 1.0 109.62 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 9.1 tptm -58.35 -45.79 87.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -57.8 -49.86 75.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -65.83 -17.66 64.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -81.12 -12.09 59.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -22.54 12.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 1.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.28 -49.63 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.6 t -97.08 129.3 32.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 1.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.464 ' HG2' ' H ' ' A' ' 26' ' ' ASP . 90.5 Cg_endo -79.86 -96.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.309 3.339 . . . . 1.0 109.61 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.464 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 17.4 t70 -45.06 120.37 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.414 ' C ' ' N ' ' A' ' 29' ' ' LYS . 71.2 m -83.3 -23.41 32.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 1.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -48.09 -24.21 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 27' ' ' CYS . 13.1 mmtt -59.99 -33.2 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.2 m -111.83 -33.74 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -113.3 62.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -59.69 -40.34 87.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.44 34.73 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.73 162.79 25.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 1.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -53.14 160.97 3.89 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.338 . . . . 1.0 109.587 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.81 -163.4 17.45 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.14 . . . . 1.0 111.002 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 166.78 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 1.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.6 mt -119.27 93.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 1.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.2 103.06 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.62 -20.83 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 1.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 19.5 t80 -47.38 160.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 1.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.539 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 151.74 173.46 21.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 1.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.66 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.45 -42.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 1.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -37.37 -68.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 1.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.466 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -77.95 -46.68 20.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -48.13 -23.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 1.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.66 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 6.5 m-70 -101.52 -54.39 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.59 -140.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 1.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.439 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.9 OUTLIER -83.6 49.35 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 1.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -107.49 -63.26 0.58 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.585 1.178 . . . . 1.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.1 m -117.74 -55.07 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.3 -22.25 64.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.07 -55.28 16.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 1.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 23.5 t -86.36 29.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.35 -0.982 . . . . 1.0 108.35 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 1.2 m-70 -122.68 -68.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 1.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -52.91 -45.99 67.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -28.41 17.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 1.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mtp -99.7 -12.98 19.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm 59.21 52.02 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 1.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.33 129.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.82 175.17 15.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 1.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 57.2 Cg_endo -66.9 96.38 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.291 3.327 . . . . 1.0 109.546 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.9 p -106.13 -11.92 15.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 1.0 110.336 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -99.41 163.95 12.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -5.21 53.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 1.0 108.32 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.96 3.38 55.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.425 1.078 . . . . 1.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -108.71 -43.65 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 1.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.74 -52.5 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 108.299 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.8 m-70 -89.45 76.18 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.643 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.453 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.0 t70 -63.62 -177.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.534 HG22 ' CE2' ' A' ' 6' ' ' PHE . 4.1 mt -156.29 128.5 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.423 HG12 ' OD1' ' A' ' 12' ' ' ASP . 14.7 t -114.91 142.47 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.534 ' CE2' HG22 ' A' ' 4' ' ' ILE . 96.4 m-85 -122.93 103.23 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 1.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.93 125.91 4.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.876 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -127.89 152.28 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 1.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -87.4 14.64 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 5.3 m-20 -149.24 24.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.876 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.21 134.37 6.27 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 1.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.423 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.7 OUTLIER -55.55 143.32 30.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 1.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 t -109.44 105.66 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 145.55 37.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 1.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -148.48 106.31 3.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.745 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 24.8 Cg_exo -61.67 94.12 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.299 3.333 . . . . 1.0 109.604 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 32.9 t-80 -70.26 -57.13 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 109.605 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 36.3 tttm -58.82 -44.79 90.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -58.72 -47.89 83.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -67.45 -14.73 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 1.0 109.676 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -84.55 -12.25 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 1.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.9 -23.59 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.98 -48.16 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.555 HG13 ' HD2' ' A' ' 25' ' ' PRO . 64.3 t -99.83 137.16 20.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.555 ' HD2' HG13 ' A' ' 24' ' ' VAL . 67.7 Cg_endo -82.62 -98.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.291 3.327 . . . . 1.0 109.57 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.478 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 15.1 t0 -44.7 128.65 6.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 109.315 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.411 ' C ' ' N ' ' A' ' 29' ' ' LYS . 72.7 m -89.31 -22.2 22.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -48.9 -23.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 1.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 27' ' ' CYS . 4.5 mmtt -61.59 -33.01 73.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 1.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 98.0 m -110.54 -33.31 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 108.339 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -114.65 59.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -42.21 70.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 1.0 110.287 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.41 39.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.49 159.89 8.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 1.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -50.9 157.01 4.12 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 1.0 109.6 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.94 -164.97 20.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 1.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 163.98 26.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 mt -114.74 98.81 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -76.65 102.35 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 1.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.56 -13.09 5.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 21.9 t80 -53.51 158.82 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 1.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.51 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 153.49 168.34 17.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 1.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.663 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -30.92 -43.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 0.778 . . . . 1.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 19.6 mm-40 -35.96 -61.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 1.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.465 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 2.0 ttp -84.65 -44.79 13.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . . . -49.04 -22.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.663 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 7.9 m-70 -103.08 -53.01 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 1.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.29 -138.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 1.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -85.23 48.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 1.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.465 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -106.67 -63.88 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.437 1.085 . . . . 1.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.4 m -117.25 -54.99 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -61.23 -21.54 63.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 1.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -68.59 -51.13 32.53 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.466 1.104 . . . . 1.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.2 t -88.0 25.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.269 -1.011 . . . . 1.0 108.269 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 1.7 m-70 -121.31 -68.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.637 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.5 mt-10 -53.66 -45.76 70.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.74 -42.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -97.25 -17.36 19.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 1.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER 70.15 51.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -157.26 127.33 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.08 176.22 16.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.108 . . . . 1.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.431 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.7 Cg_endo -63.94 94.68 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.337 3.358 . . . . 1.0 109.598 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 p -105.65 -2.92 22.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 1.0 110.395 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -108.02 164.15 12.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -6.97 59.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.55 2.0 58.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 1.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -107.13 -44.65 4.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 0.757 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.31 -51.65 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 108.292 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.6 m-70 -90.64 79.34 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 109.595 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.303 -0.629 . . . . 1.0 109.303 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.98 -175.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.7 mt -152.26 133.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.493 HG12 ' OD2' ' A' ' 12' ' ' ASP . 7.1 t -118.3 136.35 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -117.06 101.16 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 1.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.83 126.44 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -137.65 146.28 43.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -83.88 10.28 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 24.3 t-20 -133.94 15.39 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.633 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.28 134.5 6.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 1.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.493 ' OD2' HG12 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -54.61 134.53 46.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 1.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 13' ' ' VAL . 4.9 t -100.99 86.96 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -62.36 138.91 58.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.459 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 12.4 t80 -140.95 110.45 6.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 1.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.759 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 19.5 Cg_exo -64.5 93.41 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.345 . . . . 1.0 109.622 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -68.25 -54.91 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.635 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -64.72 -53.48 46.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -46.26 -45.29 17.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' ND1' ' O ' ' A' ' 16' ' ' PRO . 16.5 m80 -66.86 -29.75 69.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 13.6 mm-40 -68.16 -13.15 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 1.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -101.27 -25.06 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 1.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.59 -48.61 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 25' ' ' PRO . 86.0 t -97.75 136.2 21.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 1.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 24' ' ' VAL . 53.8 Cg_endo -84.43 -98.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.314 3.343 . . . . 1.0 109.625 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.496 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 3.4 t70 -44.38 132.05 6.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.321 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.409 ' C ' ' N ' ' A' ' 29' ' ' LYS . 75.7 m -90.89 -23.51 20.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 108.292 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -48.28 -24.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' CYS . 6.0 mmtt -60.66 -31.82 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.4 m -111.55 -35.52 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 108.291 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -112.26 60.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -40.17 77.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.278 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -94.75 40.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 1.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.58 159.89 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 1.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -51.99 153.62 11.79 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.281 3.32 . . . . 1.0 109.619 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.14 178.06 15.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 1.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 167.34 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 1.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.4 mt -121.78 80.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.11 100.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 1.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.12 -19.53 3.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.558 1.162 . . . . 1.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 82.1 t80 -49.17 171.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 1.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 136.23 178.8 16.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 1.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.63 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.0 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 1.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.9 mm-40 -37.1 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.6 ttm -76.93 -43.4 35.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.51 -25.59 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 1.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.63 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 7.8 m-70 -101.21 -57.23 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.21 -142.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 1.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -80.58 53.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 1.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.06 -62.65 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 1.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.0 m -120.17 -52.24 2.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -62.82 -25.48 68.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -65.78 -45.97 85.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 1.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 t -89.57 22.49 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.475 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 1.9 m-70 -120.49 -68.64 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 1.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.25 -45.69 65.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 1.0 110.316 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.96 -43.01 2.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 1.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -97.93 -15.77 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.28 46.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 1.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -150.09 127.41 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.89 178.92 17.85 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.478 1.111 . . . . 1.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 65.1 Cg_endo -68.48 98.79 0.58 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.354 . . . . 1.0 109.613 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 p -106.33 -17.46 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 110.409 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.63 165.07 12.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 1.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.33 -7.81 58.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 1.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.36 2.4 59.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 1.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -106.27 -40.17 5.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 1.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 m -91.16 -56.25 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 108.342 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.3 m-70 -85.52 77.47 9.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.602 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 1.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.436 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 26.6 t0 -65.81 -176.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.436 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.0 mt -155.64 135.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.509 HG12 ' OD1' ' A' ' 12' ' ' ASP . 6.3 t -117.6 136.77 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' LYS . 71.2 m-85 -119.55 98.07 5.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 1.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' PHE . 6.8 mmtt -39.71 125.28 1.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.826 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -128.27 149.26 50.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -86.1 12.62 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.291 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.62 23.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.826 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.75 133.75 6.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 1.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.509 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -53.75 145.06 16.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 1.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.726 ' O ' HG12 ' A' ' 13' ' ' VAL . 8.7 t -108.35 72.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -49.55 136.1 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' HE1' ' CE1' ' A' ' 20' ' ' HIS . 34.4 t80 -144.6 118.19 5.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.66 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 89.6 Cg_endo -77.17 106.61 2.27 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.347 3.365 . . . . 1.0 109.58 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -75.66 -53.54 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 1.0 109.6 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 19.8 tttm -52.77 -57.41 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 1.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.66 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -40.7 -58.64 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.41 ' CE1' ' HE1' ' A' ' 15' ' ' PHE . 45.2 m80 -56.81 -35.15 68.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -65.73 -13.62 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 1.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.08 -10.26 13.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.64 -52.87 3.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 25' ' ' PRO . 91.9 t -101.14 139.12 20.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.634 ' HD2' HG13 ' A' ' 24' ' ' VAL . 88.1 Cg_endo -81.67 -94.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.329 3.353 . . . . 1.0 109.595 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.501 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 15.6 t70 -45.7 127.51 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.295 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.402 ' C ' ' N ' ' A' ' 29' ' ' LYS . 81.4 m -90.1 -21.89 22.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 1.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -50.14 -22.79 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 27' ' ' CYS . 12.9 mmtm -64.34 -29.01 70.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 92.6 m -112.38 -36.83 5.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 108.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 41.0 m80 -112.45 71.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.617 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -60.99 -39.97 91.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 1.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -95.63 40.32 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 1.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.65 150.08 2.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 1.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.525 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 74.8 Cg_exo -45.5 147.66 2.62 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.304 3.336 . . . . 1.0 109.622 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.48 -157.35 26.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.13 . . . . 1.0 110.999 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 159.41 24.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 1.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -113.5 87.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 1.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 97.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.59 -8.91 4.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 1.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 91.7 t80 -55.96 168.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 1.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 140.22 176.08 14.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 1.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.636 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -33.64 -38.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 1.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.08 -73.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.481 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 6.2 ttm -80.16 -41.45 25.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.12 . . . . 1.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.25 -23.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.636 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 7.2 m-70 -103.44 -57.65 2.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.602 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.1 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 1.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -78.76 53.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 1.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.481 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.53 -64.34 0.47 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 1.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 m -116.47 -51.17 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 1.1 mtmt -65.06 -22.79 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.416 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.97 -49.34 54.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 1.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.8 t -87.71 23.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 1.8 m-70 -120.65 -68.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 1.0 109.609 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.48 -45.87 62.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -30.79 57.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 1.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.9 mtp -99.29 -9.39 23.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 1.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm 54.76 51.43 13.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 1.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.87 129.13 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 1.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.35 178.39 18.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 1.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.54 101.77 0.67 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.31 3.34 . . . . 1.0 109.636 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -112.21 -2.9 14.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 1.0 110.371 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -108.55 165.75 11.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 1.0 109.236 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -7.94 59.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 1.0 108.323 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.36 3.56 58.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 1.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -109.26 -42.86 4.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 1.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.86 -54.19 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 108.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -86.64 78.02 9.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 1.0 109.586 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.3 -176.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.557 HG22 ' CE2' ' A' ' 6' ' ' PHE . 3.7 mt -149.83 129.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 1.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 t -114.97 141.93 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.557 ' CE2' HG22 ' A' ' 4' ' ' ILE . 96.5 m-85 -122.88 108.08 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 1.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -48.96 123.81 7.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 1.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.873 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -125.32 152.49 44.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -87.76 14.96 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 1.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -150.09 25.77 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.873 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.99 133.49 6.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 1.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.51 141.27 37.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 t -106.75 99.84 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 144.61 48.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 11.8 t80 -147.51 109.03 3.86 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 1.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.776 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.9 Cg_exo -63.01 94.12 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.318 3.346 . . . . 1.0 109.599 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 30.1 t-80 -71.62 -58.33 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 1.0 109.598 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 16.2 tttt -57.6 -39.11 76.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.776 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -64.05 -54.3 36.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -61.91 -14.13 31.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.578 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -82.03 -13.35 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 1.0 110.266 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.21 -20.01 13.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.85 -46.08 9.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 1.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -110.34 102.76 52.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.04 -70.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.344 3.362 . . . . 1.0 109.574 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -60.9 125.67 24.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 1.0 109.369 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 29' ' ' LYS . 82.2 m -91.68 -23.4 19.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 108.365 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -50.18 -22.25 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -64.54 -28.45 69.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.7 m -114.35 -35.85 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 108.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 41.9 m80 -112.26 70.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.63 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -62.73 -40.28 96.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.25 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 41.75 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 1.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.69 151.56 2.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 1.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.542 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 74.9 Cg_exo -46.94 154.91 0.97 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.314 3.343 . . . . 1.0 109.605 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.43 -167.65 22.97 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.509 1.131 . . . . 1.0 110.973 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 161.25 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 1.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.5 mt -117.23 95.89 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.14 104.85 3.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 110.332 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.45 -20.01 5.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 1.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 27.3 t80 -47.5 160.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 1.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 151.33 172.77 20.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 1.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.662 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.37 -42.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 1.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -36.78 -70.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 1.0 110.245 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.479 ' HG3' ' CA ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -75.87 -48.53 21.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 1.0 111.005 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.94 -25.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.662 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 6.5 m-70 -100.55 -55.51 2.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 1.0 109.588 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.05 -139.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.142 . . . . 1.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.45 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 1.5 mttt -82.92 51.12 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 1.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.479 ' CA ' ' HG3' ' A' ' 45' ' ' MET . . . -109.65 -62.93 0.52 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 1.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -119.22 -54.97 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -61.09 -23.84 65.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.26 -49.93 48.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.6 t -88.52 25.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.251 -1.018 . . . . 1.0 108.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.473 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 1.7 m-70 -121.63 -68.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 109.61 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.2 mt-10 -53.45 -45.79 69.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.42 -40.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -97.94 -17.62 19.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 1.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER 70.33 51.61 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 1.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.72 129.7 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.27 175.91 16.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 1.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.475 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.1 Cg_endo -64.96 96.4 0.26 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.308 3.338 . . . . 1.0 109.58 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.4 p -106.46 -11.46 15.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.71 163.73 12.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -6.05 57.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 108.273 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.79 2.61 58.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.166 . . . . 1.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -107.92 -46.42 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 1.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.63 -51.69 7.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 108.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -90.44 82.42 5.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 1.0 109.638 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 1.0 109.29 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.79 -176.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.5 mt -151.49 131.87 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.361 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -116.3 139.22 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 1.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -118.29 96.41 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -41.85 122.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -129.06 146.76 50.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 1.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.1 10.6 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.99 17.45 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 1.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.831 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 115.98 135.15 5.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.84 136.08 57.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 t -103.63 98.75 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 1.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.07 142.42 50.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 8.7 t80 -145.33 108.75 4.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.787 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 18.1 Cg_exo -64.91 94.34 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.329 3.353 . . . . 1.0 109.618 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.457 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 57.1 t60 -72.0 -58.26 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 1.0 109.596 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.0 tptt -58.55 -39.11 79.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.787 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -63.34 -51.71 64.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -64.5 -12.61 45.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 1.0 109.631 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 7.7 mm-40 -83.64 -13.79 53.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 1.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.06 -20.36 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.03 -44.52 10.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 1.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 26' ' ' ASP . 84.0 t -110.59 102.77 52.89 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 1.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.76 -70.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.314 3.343 . . . . 1.0 109.593 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.406 ' O ' HG12 ' A' ' 24' ' ' VAL . 22.2 t0 -60.55 126.81 28.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 1.0 109.269 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.1 m -93.79 -23.0 18.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 108.307 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -50.24 -22.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 1.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -66.22 -26.52 67.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.0 m -114.04 -37.23 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 1.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.409 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.6 m-70 -112.6 58.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -57.21 -42.11 80.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 1.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -92.02 38.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 1.0 109.304 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.9 155.17 8.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 1.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 9.8 Cg_endo -50.94 158.69 2.92 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.301 3.334 . . . . 1.0 109.574 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.44 -164.61 17.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 1.0 111.037 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.74 166.61 23.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 1.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mt -121.06 79.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.18 102.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.7 -16.78 4.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 1.0 111.017 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.453 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 94.6 t80 -50.5 169.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 0.796 . . . . 1.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 135.62 177.7 15.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 1.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.636 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.3 -38.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 1.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.49 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 1.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.475 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 6.8 ttm -78.5 -43.88 25.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 1.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.56 -25.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.636 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 7.8 m-70 -101.16 -57.89 2.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.615 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.26 -143.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 1.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -79.92 53.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.59 -64.12 0.49 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 1.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.2 m -120.22 -50.28 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -63.67 -26.62 68.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 1.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -65.25 -41.94 96.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 1.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.7 t -91.08 20.91 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.432 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 1.9 m-70 -119.41 -68.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.33 -45.5 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 1.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.57 -42.39 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 1.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mtt -97.74 -16.52 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.31 48.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 1.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -154.1 131.11 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 1.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.34 176.82 18.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.551 1.157 . . . . 1.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.481 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.7 Cg_endo -64.69 101.03 0.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.323 3.349 . . . . 1.0 109.588 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -109.18 -14.18 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.41 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.13 164.25 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -7.71 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 108.349 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.53 -0.89 64.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 1.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.481 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -102.89 -46.66 4.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 1.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 m -85.51 -53.0 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -90.79 78.69 6.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 1.0 109.552 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.298 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.94 -176.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 mt -149.26 134.09 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 1.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.622 HG12 ' OD1' ' A' ' 12' ' ' ASP . 11.7 t -116.94 138.53 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 1.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.78 99.41 6.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -43.36 131.65 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -140.37 149.6 42.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 1.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -85.29 12.39 8.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.9 t30 -138.96 18.75 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.645 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.82 132.87 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 1.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.622 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -55.43 136.34 49.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 1.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 t -102.96 98.77 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.51 144.42 49.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.448 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 14.5 t80 -146.85 109.97 4.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.774 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.4 Cg_exo -63.26 96.57 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.293 3.329 . . . . 1.0 109.623 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 28.8 t-80 -72.91 -58.62 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 109.609 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 4.9 tttt -58.24 -40.58 82.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 1.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -61.79 -51.83 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -64.43 -12.42 43.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 1.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -85.39 -10.92 55.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 1.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.47 -20.43 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.83 -48.96 7.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 1.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.82 101.11 50.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -55.28 -70.32 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.383 3.389 . . . . 1.0 109.59 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -55.51 122.49 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.8 m -91.52 -22.66 20.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 1.0 108.29 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -50.46 -22.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 1.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -65.62 -25.86 67.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.6 m -116.11 -37.64 3.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 1.0 108.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 39.5 m80 -112.21 73.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 1.0 109.616 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -42.84 99.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 40.05 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.24 150.89 3.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 1.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 76.3 Cg_exo -46.12 143.02 7.92 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.308 3.339 . . . . 1.0 109.597 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.85 -156.81 27.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 1.0 111.021 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 165.6 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 1.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.3 mt -121.61 91.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.76 98.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 1.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.62 -11.49 4.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 1.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.464 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 94.2 t80 -54.57 169.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 1.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 137.12 179.31 16.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 1.0 111.041 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.641 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -33.7 -38.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 1.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.3 tt0 -37.4 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.478 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.0 ttm -77.57 -43.21 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 1.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.35 -25.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.641 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 7.1 m-70 -102.08 -57.22 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 109.557 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.79 -145.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 1.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -78.84 53.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.777 . . . . 1.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.478 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.37 -64.31 0.47 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 1.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.7 m -118.28 -51.63 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.89 -25.85 68.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 1.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -68.07 -41.56 86.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 1.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 t -91.0 19.06 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' LYS . 2.2 m-70 -119.6 -69.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 1.0 109.603 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -49.94 -46.91 52.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 110.351 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -53.11 -31.55 42.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 1.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 mtp -97.01 -18.66 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 66.85 50.75 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 1.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.47 130.47 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.67 174.28 16.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 1.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 44.8 Cg_endo -65.86 96.96 0.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.305 3.337 . . . . 1.0 109.62 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.7 p -104.3 -20.59 13.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 1.0 110.429 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -89.9 164.77 14.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 1.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -9.34 59.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.32 2.17 62.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 1.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -104.63 -43.37 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 1.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 m -88.5 -53.83 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 1.0 108.275 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.7 m-70 -87.75 82.39 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 1.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -64.5 -176.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 1.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.497 HG22 ' CE2' ' A' ' 6' ' ' PHE . 3.5 mt -153.96 125.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 1.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.634 HG12 ' OD1' ' A' ' 12' ' ' ASP . 6.6 t -114.62 138.14 45.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.506 1.129 . . . . 1.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CE2' HG22 ' A' ' 4' ' ' ILE . 97.2 m-85 -118.53 99.73 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.31 128.7 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.875 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -132.05 151.37 51.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -86.63 14.02 7.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 1.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -148.32 24.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.875 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.36 133.51 6.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 1.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.634 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -57.82 138.79 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 1.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 t -102.83 99.52 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 1.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 144.28 48.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -146.45 109.08 4.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 1.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.762 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 23.4 Cg_exo -62.86 94.05 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.353 3.369 . . . . 1.0 109.557 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.453 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 49.3 t60 -71.34 -58.4 3.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 1.0 109.63 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.0 ttpp -57.24 -39.62 75.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -64.12 -53.54 47.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 1.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -62.35 -15.77 50.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 1.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -80.08 -11.93 59.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 110.298 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.22 -34.35 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.63 -51.25 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.579 HG13 ' HD2' ' A' ' 25' ' ' PRO . 61.5 t -98.33 138.22 20.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.579 ' HD2' HG13 ' A' ' 24' ' ' VAL . 64.8 Cg_endo -82.82 -98.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.361 3.374 . . . . 1.0 109.614 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.474 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 18.4 t0 -44.34 127.98 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.414 ' C ' ' N ' ' A' ' 29' ' ' LYS . 71.2 m -87.24 -22.86 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 1.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -48.4 -23.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 1.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 27' ' ' CYS . 9.6 mmpt? -60.34 -32.88 71.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.3 m -111.64 -34.09 6.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 108.31 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -112.8 57.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.602 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -41.49 69.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.66 38.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.75 160.94 9.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.148 . . . . 1.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -52.51 160.74 3.38 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.263 3.309 . . . . 1.0 109.609 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.49 -165.49 16.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 1.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 162.33 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 1.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.3 mt -114.8 84.45 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.78 103.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 1.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.05 -10.72 5.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.15 . . . . 1.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 48.1 t80 -57.3 163.41 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.766 . . . . 1.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 147.19 172.23 17.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 1.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.663 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 1.8 ptpt -31.24 -42.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 1.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.2 mt-10 -36.89 -68.01 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.47 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.8 OUTLIER -78.85 -47.33 16.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 1.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.91 -24.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.663 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 6.5 m-70 -101.22 -54.52 2.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.58 -138.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 1.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -84.49 49.84 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 1.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -108.63 -61.41 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 1.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 m -119.7 -55.74 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -60.94 -21.92 63.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' O ' ' OE2' ' A' ' 57' ' ' GLU . . . -67.47 -52.6 29.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 1.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 11.1 t -87.73 27.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 1.5 m-70 -122.69 -67.98 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.592 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' LYS . 7.5 mt-10 -54.69 -48.22 72.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -41.68 -39.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 1.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -97.19 -18.53 19.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLU . 21.2 mmtt 69.03 51.24 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.84 124.45 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.83 174.95 14.8 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 1.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.456 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.6 Cg_endo -64.45 95.82 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.294 3.329 . . . . 1.0 109.563 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 p -106.69 0.6 24.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 110.412 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -110.37 164.95 12.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 1.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -7.81 59.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 1.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.74 3.27 58.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 1.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -109.62 -43.27 4.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 1.0 110.325 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.87 -52.69 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 108.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -88.86 81.39 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.623 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 109.282 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.82 -176.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.5 mt -152.21 133.3 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.533 HG12 ' OD2' ' A' ' 12' ' ' ASP . 8.9 t -120.17 136.83 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -116.33 98.67 6.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.04 124.5 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -130.65 147.05 52.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 1.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -84.58 11.11 9.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.1 t-20 -140.5 19.05 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.882 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 116.71 134.59 5.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 1.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.533 ' OD2' HG12 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -61.52 135.09 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.753 . . . . 1.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 t -103.08 103.12 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 147.44 40.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 4.7 t80 -150.42 108.19 3.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.813 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 17.8 Cg_exo -65.26 97.3 0.3 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.31 3.34 . . . . 1.0 109.61 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.429 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 59.1 t60 -71.69 -58.22 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 109.627 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.6 tptt -59.06 -44.9 91.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.813 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -57.46 -46.16 83.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 1.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -69.92 -13.5 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.612 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 7.7 mm-40 -83.97 -12.02 55.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 -19.73 13.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 1.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.14 -47.22 8.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.9 t -109.73 103.54 53.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 1.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -56.4 -70.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.306 3.337 . . . . 1.0 109.631 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.72 126.85 28.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 1.0 109.315 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.405 ' C ' ' N ' ' A' ' 29' ' ' LYS . 70.1 m -93.21 -22.49 19.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -49.55 -23.11 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' CYS . 1.5 mmtp -64.57 -27.95 69.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.5 m -113.83 -36.75 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 108.323 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -113.72 64.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.586 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -36.49 80.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 1.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 24.05 3.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.35 156.59 32.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 1.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -51.74 153.1 11.9 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.293 3.329 . . . . 1.0 109.624 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.19 -173.13 17.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 1.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 169.35 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.774 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.6 mt -121.02 88.88 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.76 100.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.38 -12.19 4.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 1.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 89.1 t80 -54.13 168.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 1.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.23 176.6 14.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 1.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.632 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.08 -39.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 1.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.5 tt0 -37.37 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 1.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.8 ttm -76.87 -43.43 36.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.03 -24.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.632 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 7.5 m-70 -102.76 -56.66 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 1.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.9 -143.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 1.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 9.8 mttp -80.15 53.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.96 -64.18 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 1.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.9 m -118.51 -51.63 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.353 -0.98 . . . . 1.0 108.353 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -62.46 -27.38 69.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 1.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.54 -42.91 93.3 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.112 . . . . 1.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 t -89.63 18.89 5.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 2.2 m-70 -119.54 -69.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 1.0 109.612 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -51.63 -44.52 62.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 1.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.55 -43.11 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -99.61 -13.82 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp 67.56 47.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 1.0 109.247 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -151.54 124.72 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.44 176.85 16.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.415 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.7 Cg_endo -64.17 99.56 0.29 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.328 3.352 . . . . 1.0 109.58 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.8 p -109.6 -5.6 15.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 1.0 110.366 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -106.49 165.99 10.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -7.88 59.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 1.0 108.286 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.32 1.17 60.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 1.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -105.9 -44.79 4.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 1.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.4 m -87.04 -54.11 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 1.0 108.235 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.9 m-70 -87.53 71.71 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.16 -176.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.0 mt -153.11 133.04 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.7 HG12 ' OD1' ' A' ' 12' ' ' ASP . 4.0 t -119.28 137.26 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -118.3 105.35 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.6 131.59 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.853 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -136.4 150.65 48.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 1.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -86.15 12.85 8.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.49 ' OD1' ' HB1' ' A' ' 8' ' ' ALA . 2.7 p30 -146.16 23.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.853 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.82 134.09 6.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 1.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.7 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -56.88 137.96 54.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 1.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.4 t -102.02 102.02 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 145.08 43.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -146.61 108.89 4.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 1.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.745 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 23.2 Cg_exo -63.03 96.42 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.318 3.346 . . . . 1.0 109.623 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -73.48 -56.49 4.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 109.594 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -60.86 -41.7 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -60.08 -54.93 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -58.35 -23.44 56.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 1.0 109.594 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 13.3 mm-40 -74.15 -12.09 60.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.34 -24.07 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.54 -49.33 6.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 25' ' ' PRO . 64.1 t -97.52 138.55 21.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 1.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.603 ' HD2' HG13 ' A' ' 24' ' ' VAL . 40.3 Cg_endo -85.67 -101.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.339 3.359 . . . . 1.0 109.64 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.49 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 3.6 t70 -41.7 133.06 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 1.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 29' ' ' LYS . 71.5 m -91.63 -25.36 19.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 108.258 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.2 -24.76 0.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 27' ' ' CYS . 20.9 mmtt -59.29 -33.37 71.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 1.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 84.6 m -111.76 -33.45 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 1.0 108.306 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -112.73 63.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.557 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -59.68 -40.43 87.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 35.64 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.26 160.17 14.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 1.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.76 162.28 1.07 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.314 3.343 . . . . 1.0 109.589 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.78 -160.49 17.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.445 1.091 . . . . 1.0 110.972 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.58 165.09 21.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.9 mt -117.22 86.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.56 99.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.88 -12.93 4.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 1.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 35.8 t80 -54.93 161.04 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 0.728 . . . . 1.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 150.87 171.03 18.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 1.0 110.971 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.65 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.51 -42.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 1.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.2 mm-40 -36.63 -64.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 1.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.468 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 1.2 ttp -82.83 -44.31 15.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . . . -49.05 -23.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 1.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.65 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 7.5 m-70 -102.93 -52.65 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 1.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.29 -138.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 1.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 2.9 ttmm -85.99 48.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 1.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -106.88 -62.8 0.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 1.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.7 m -116.88 -56.08 2.3 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.304 -0.998 . . . . 1.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.465 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -61.5 -20.61 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.16 -57.32 10.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 1.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.2 t -85.82 30.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.465 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 1.2 m-70 -123.27 -67.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 109.555 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -54.49 -47.54 72.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -46.59 -30.63 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.9 mtp -99.47 -20.08 16.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? 69.12 50.64 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -164.61 134.96 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.4 175.69 18.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.515 1.134 . . . . 1.0 111.052 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -65.85 98.11 0.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.336 3.357 . . . . 1.0 109.587 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 p -109.11 -9.53 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.424 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.7 163.26 12.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 1.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.94 -4.51 50.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 1.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -103.06 5.19 49.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 1.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.63 -43.75 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 1.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.32 -52.18 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 108.317 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.453 ' ND1' ' OD1' ' A' ' 10' ' ' ASN . 98.3 m-70 -89.69 82.49 6.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.48 -176.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.479 HG22 ' CE2' ' A' ' 6' ' ' PHE . 3.7 mt -154.19 131.81 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 1.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.479 HG12 ' OD1' ' A' ' 12' ' ' ASP . 19.6 t -115.29 142.11 29.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.479 ' CE2' HG22 ' A' ' 4' ' ' ILE . 92.6 m-85 -122.67 97.62 5.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -40.17 122.89 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 1.0 109.237 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -126.6 151.99 47.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 1.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -86.71 13.9 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.229 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -145.96 23.46 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.785 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 110.73 134.12 6.57 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.118 . . . . 1.0 111.045 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.479 ' OD1' HG12 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -51.91 140.9 18.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 1.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 13' ' ' VAL . 3.1 t -106.72 93.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 142.1 57.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.457 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 10.2 t80 -146.55 110.5 4.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.775 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 19.2 Cg_exo -64.72 94.13 0.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.306 3.337 . . . . 1.0 109.601 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.447 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 59.0 t60 -71.55 -57.95 3.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.616 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -58.75 -40.56 84.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.243 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.775 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -62.02 -51.15 69.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -64.49 -13.72 53.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 1.0 109.56 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 7.8 mm-40 -84.27 -12.27 54.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 1.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -21.46 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.87 -46.23 11.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 1.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.638 HG13 ' HD2' ' A' ' 25' ' ' PRO . 91.4 t -108.71 138.72 20.36 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.638 ' HD2' HG13 ' A' ' 24' ' ' VAL . 67.0 Cg_endo -82.72 -98.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.375 3.384 . . . . 1.0 109.601 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.483 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 26.7 t70 -39.6 126.79 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.9 m -91.03 -21.13 21.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 108.317 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -50.75 -24.47 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 1.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -62.98 -25.63 68.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 84.7 m -114.88 -38.26 3.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 108.306 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.532 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 95.6 m-70 -110.94 73.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -37.81 88.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.1 40.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.04 150.05 2.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 1.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.532 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 77.3 Cg_exo -46.2 134.79 15.29 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.29 3.327 . . . . 1.0 109.564 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.4 -173.98 25.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 1.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 156.13 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -112.67 98.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 1.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.86 101.12 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.69 -3.3 6.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 1.0 111.039 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -61.92 166.81 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 1.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 141.35 172.57 13.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 1.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.666 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.33 -42.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 1.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' GLY . 14.4 mt-10 -37.25 -73.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 1.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.489 ' HG3' ' CA ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -71.91 -50.68 27.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.986 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.97 -27.16 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.666 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 6.7 m-70 -99.74 -57.04 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 1.0 109.586 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.23 -143.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.551 1.157 . . . . 1.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -79.6 53.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 0.719 . . . . 1.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.489 ' CA ' ' HG3' ' A' ' 45' ' ' MET . . . -112.0 -63.65 0.48 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 1.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.6 m -119.25 -50.81 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 1.3 mttp -63.24 -26.21 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.6 -43.95 83.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -89.47 19.14 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.28 -1.007 . . . . 1.0 108.28 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 2.2 m-70 -119.75 -68.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.624 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -49.53 -44.77 46.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -42.8 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 1.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mtt -97.93 -15.89 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 1.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.2 49.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.69 130.44 10.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.2 176.92 17.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.479 1.112 . . . . 1.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 35.7 Cg_endo -64.33 99.69 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 124.331 3.354 . . . . 1.0 109.562 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -108.9 -10.37 15.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 1.0 110.419 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -100.3 163.23 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -5.6 54.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 1.0 108.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.45 1.35 58.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 1.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -105.5 -45.09 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 1.0 110.287 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.81 -53.45 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 108.309 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -89.07 79.6 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 1.0 109.567 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 109.259 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.259 -0.645 . . . . 1.0 109.259 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.06 -176.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.431 HG22 ' CE2' ' A' ' 6' ' ' PHE . 4.6 mt -153.83 131.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.418 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 21.9 t -115.14 139.64 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.431 ' CE2' HG22 ' A' ' 4' ' ' ILE . 92.2 m-85 -120.18 106.44 11.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 1.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -46.3 128.77 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 1.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -131.2 146.82 52.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 1.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.04 10.93 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -143.87 21.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.828 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.69 131.85 5.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.147 . . . . 1.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.418 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -49.54 149.7 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 1.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 13' ' ' VAL . 3.9 t -116.39 90.39 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 142.9 58.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 8.9 t80 -147.76 108.69 3.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 1.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.763 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.2 Cg_exo -63.42 93.21 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.267 3.311 . . . . 1.0 109.616 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 49.4 t60 -70.5 -57.87 4.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.611 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -58.56 -41.26 85.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 1.0 109.344 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -61.79 -50.69 71.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 1.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -65.03 -14.28 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 1.0 109.61 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -82.95 -12.43 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 1.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.94 -21.56 12.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 1.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.4 -46.74 9.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 1.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.2 t -111.65 101.55 51.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.12 -70.48 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.346 . . . . 1.0 109.608 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -57.11 125.01 20.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 82.0 m -92.75 -24.55 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 108.325 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -49.84 -23.33 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 1.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -26.82 68.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 1.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 91.9 m -114.66 -37.94 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 108.257 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -109.74 66.01 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 1.0 109.615 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -40.28 94.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -94.89 38.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 1.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.19 164.75 22.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 1.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -54.88 161.45 6.28 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.285 3.323 . . . . 1.0 109.6 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.52 -171.86 14.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 1.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 164.12 20.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 mt -114.56 87.14 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 1.0 109.256 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.17 100.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.69 -5.44 5.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.437 1.086 . . . . 1.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.78 168.86 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.06 175.77 14.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 1.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.644 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -32.83 -39.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 1.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -36.57 -77.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.467 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.1 ttm -73.89 -47.32 38.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 1.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -43.51 -26.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 1.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.644 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 6.6 m-70 -99.95 -57.79 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 109.631 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.14 -142.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 1.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 4.3 mmtt -79.77 53.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 1.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.24 -62.78 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 1.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 m -121.28 -52.75 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 11.5 mtmt -61.24 -28.12 68.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 1.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.87 -42.03 93.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 1.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.21 18.44 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 2.3 m-70 -119.75 -69.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 1.0 109.575 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -50.63 -43.92 57.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -43.93 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.61 -13.28 19.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 67.16 47.82 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -150.56 123.78 8.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.07 177.31 16.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 1.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.17 100.76 0.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.308 3.338 . . . . 1.0 109.607 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 p -109.81 -7.17 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.388 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -102.97 164.45 11.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -9.23 59.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 108.308 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.86 1.05 61.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 1.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -43.18 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 1.0 110.364 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.4 -54.43 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 1.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -87.11 75.18 9.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.605 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 1.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -61.84 -177.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 1.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 7.8 mt -157.44 133.53 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 t -118.58 135.6 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -116.83 103.14 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 1.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -44.96 129.89 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 1.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -138.09 149.73 46.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -85.54 13.1 7.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -140.5 20.14 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.653 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 110.1 134.02 6.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.127 . . . . 1.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.2 138.16 32.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 1.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.553 ' O ' HG12 ' A' ' 13' ' ' VAL . 4.0 t -104.41 90.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 1.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 142.27 58.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 13.6 t80 -143.4 112.58 5.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 1.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.763 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 19.0 Cg_exo -64.59 96.0 0.24 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.292 3.328 . . . . 1.0 109.626 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -70.24 -55.44 9.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.61 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.2 ttmm -62.72 -51.1 68.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 1.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.67 -44.41 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -70.26 -21.33 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.596 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.2 mm-40 -76.39 -12.7 60.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -104.35 -28.56 11.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.22 -48.98 11.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.494 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.4 t -103.64 135.34 19.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.494 ' HD2' HG13 ' A' ' 24' ' ' VAL . 69.5 Cg_endo -82.85 -97.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.37 3.38 . . . . 1.0 109.584 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.485 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 20.8 t0 -42.88 124.44 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.268 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.1 m -85.84 -21.22 28.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 1.0 108.313 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -50.22 -22.83 1.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 1.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -63.26 -28.84 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.8 m -113.25 -36.48 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.538 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 40.5 m80 -112.58 70.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 109.561 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.28 96.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.68 40.3 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.95 150.61 2.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 1.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.538 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 75.6 Cg_exo -46.05 149.47 2.32 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.335 3.357 . . . . 1.0 109.604 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.67 -157.38 25.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 1.0 111.037 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.37 162.8 24.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 1.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.83 86.8 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.14 102.02 0.77 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 1.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.54 -10.05 5.82 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.539 1.149 . . . . 1.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 37.2 t80 -55.36 161.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 1.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 149.42 172.08 18.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 1.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.666 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 1.4 ptpt -31.22 -42.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 1.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' GLY . 23.8 mt-10 -37.09 -69.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.464 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.5 OUTLIER -76.91 -47.39 21.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 111.022 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.73 -23.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.666 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 6.3 m-70 -101.92 -55.28 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 109.619 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.61 -142.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 1.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 6.8 pttp -82.16 50.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 1.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -109.32 -63.2 0.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 1.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 m -117.44 -57.36 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -59.7 -23.42 63.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.462 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.45 -48.38 57.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 1.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.14 23.35 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 1.9 m-70 -120.76 -68.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -52.7 -45.71 67.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 1.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.38 -42.73 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 1.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.09 -15.66 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 1.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.95 47.1 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.3 126.21 10.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 1.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.82 178.84 17.37 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 1.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.427 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 60.8 Cg_endo -67.69 100.34 0.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.283 3.322 . . . . 1.0 109.613 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -109.92 -9.84 14.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 110.373 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.68 163.34 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -5.33 52.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 108.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.97 3.73 55.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.157 . . . . 1.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -108.64 -45.57 3.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 1.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.09 -52.1 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 108.291 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -90.36 84.23 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 109.57 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.267 -0.642 . . . . 1.0 109.267 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.444 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -64.32 -176.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.8 mt -155.62 132.14 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 t -116.32 139.5 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -119.39 105.06 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.26 127.91 11.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -135.64 145.37 46.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.33 9.61 10.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 11.3 t30 -136.1 15.95 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.806 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 116.4 134.62 5.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 1.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.97 139.08 47.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 1.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 t -108.6 99.72 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 1.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 147.49 43.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -149.86 108.23 3.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.753 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 19.5 Cg_exo -64.57 99.75 0.32 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.308 3.339 . . . . 1.0 109.575 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -72.39 -54.55 9.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 1.0 109.604 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.8 ttpt -65.48 -52.59 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.753 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -46.33 -45.25 17.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.469 ' ND1' ' O ' ' A' ' 16' ' ' PRO . 18.5 m80 -67.18 -28.14 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 9.3 mm-40 -68.9 -12.06 61.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 1.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.46 -30.67 9.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.37 -46.73 13.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 1.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.621 HG13 ' HD2' ' A' ' 25' ' ' PRO . 99.1 t -102.86 138.97 19.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.621 ' HD2' HG13 ' A' ' 24' ' ' VAL . 37.4 Cg_endo -86.21 -101.63 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.319 3.346 . . . . 1.0 109.628 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.482 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 14.8 t70 -41.17 131.34 2.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.8 m -91.97 -23.12 19.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 108.322 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -49.14 -24.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' CE ' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -61.45 -31.82 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.3 m -108.36 -36.31 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 108.323 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -113.15 61.12 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 1.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -41.8 93.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 34.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.44 159.84 26.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 1.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -53.49 153.71 17.3 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.271 3.314 . . . . 1.0 109.566 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.86 -178.71 16.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 1.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 174.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 1.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -126.15 92.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.25 102.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.46 -7.79 5.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.142 . . . . 1.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.414 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 86.6 t80 -57.57 167.4 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 1.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 139.33 175.21 13.98 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.453 1.096 . . . . 1.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.645 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.32 -39.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 1.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -36.95 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.471 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.1 ttm -75.72 -46.8 29.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.85 -27.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.645 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 7.0 m-70 -98.88 -59.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 109.556 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.33 -141.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.143 . . . . 1.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -79.51 53.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 1.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.471 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -113.01 -61.53 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 1.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 33.5 m -122.69 -53.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -30.58 69.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 1.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -64.88 -40.03 96.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 1.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.63 18.72 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.287 -1.005 . . . . 1.0 108.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -119.67 -69.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -49.29 -42.36 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.97 -46.88 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 1.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -10.17 25.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 1.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp 63.37 45.94 4.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.248 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -146.18 126.38 13.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 1.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.02 179.49 17.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 1.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.448 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 47.6 Cg_endo -66.52 104.16 0.75 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.306 3.337 . . . . 1.0 109.545 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.7 p -111.59 -2.83 15.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 110.421 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -107.51 164.84 11.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 1.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -8.99 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 108.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.16 -0.13 63.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 2.5 tp10 -103.38 -43.37 5.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 1.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -87.94 -54.03 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 108.294 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.4 m-70 -88.52 73.91 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 1.0 109.587 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.5 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.3 t70 -64.7 -176.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 3.5 mt -154.74 131.14 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.1 t -117.61 136.63 54.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 4' ' ' ILE . 97.0 m-85 -117.03 107.56 14.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.0 131.78 12.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.875 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -137.65 146.63 44.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 1.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 11.53 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 2.4 t30 -141.84 20.63 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 1.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.875 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.96 135.5 6.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 1.0 111.038 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.59 141.58 47.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 1.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 t -108.63 98.24 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 1.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 146.54 47.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 10.1 t80 -149.15 109.08 3.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.729 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.9 Cg_exo -63.29 90.29 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.365 3.377 . . . . 1.0 109.576 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -65.19 -54.13 34.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.642 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.8 tttt -63.09 -55.84 21.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 1.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.729 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -45.27 -49.68 12.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -63.13 -29.65 70.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 1.0 109.628 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.506 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 12.8 mm-40 -70.41 -12.72 61.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 1.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 -24.43 14.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.15 -50.06 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.58 HG13 ' HD2' ' A' ' 25' ' ' PRO . 60.1 t -97.66 138.39 21.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.58 ' HD2' HG13 ' A' ' 24' ' ' VAL . 40.6 Cg_endo -85.93 -100.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.3 3.334 . . . . 1.0 109.612 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.491 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 14.5 t70 -41.36 131.95 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 109.296 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' LYS . 77.0 m -90.79 -23.84 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 1.0 108.33 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -47.98 -24.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' CYS . 6.4 mmpt? -59.82 -33.71 72.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 1.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.86 -35.04 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 108.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -111.39 58.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 1.0 109.545 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -52.97 -40.75 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 1.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -94.21 42.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 1.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.85 161.68 5.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.519 1.137 . . . . 1.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -50.66 161.17 1.4 Allowed 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.325 3.35 . . . . 1.0 109.643 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.08 164.66 13.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 1.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.28 168.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 1.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.4 mt -114.7 99.58 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.56 53.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.26 35.2 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.115 . . . . 1.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 68.7 t80 -99.43 170.34 8.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 1.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 137.47 169.37 11.61 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.556 1.16 . . . . 1.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.66 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.42 -42.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 1.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -35.71 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 1.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.464 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.7 ttm -74.0 -48.04 33.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.17 -25.3 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 1.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.66 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 6.3 m-70 -100.95 -57.55 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.94 -143.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 1.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 5.6 mttp -79.74 53.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 1.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.464 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.5 -62.16 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 1.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 m -120.28 -54.89 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -60.96 -25.05 66.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.42 -46.9 74.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 1.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.4 t -89.92 24.38 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.296 -1.001 . . . . 1.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.473 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 1.8 m-70 -121.32 -69.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 1.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.8 mt-10 -50.28 -47.0 55.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.54 -43.32 1.84 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 1.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.18 -18.25 20.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER 69.96 51.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.71 129.49 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.18 178.09 17.13 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.529 1.143 . . . . 1.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 50.8 Cg_endo -66.94 94.38 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.328 3.352 . . . . 1.0 109.582 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -103.38 -14.33 16.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 1.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 164.08 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -79.2 -7.78 58.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.22 3.19 59.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 1.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -107.35 -45.68 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 1.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.01 -53.57 5.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 108.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 99.3 m-70 -87.62 79.82 8.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.603 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 109.315 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.414 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.9 t70 -62.3 -176.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.43 HG22 ' CE2' ' A' ' 6' ' ' PHE . 4.0 mt -154.65 130.29 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 1.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.499 HG12 ' OD1' ' A' ' 12' ' ' ASP . 15.7 t -115.63 137.1 50.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.43 ' CE2' HG22 ' A' ' 4' ' ' ILE . 94.8 m-85 -117.95 108.02 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -48.09 130.33 15.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.877 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -135.07 148.23 49.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 1.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.74 13.0 7.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.1 t30 -144.72 22.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 1.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.877 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.9 135.39 6.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 1.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.499 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -56.72 143.33 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.754 . . . . 1.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 t -110.13 97.8 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.55 144.72 49.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.447 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 11.5 t80 -146.8 109.3 4.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 1.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.756 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 21.1 Cg_exo -64.1 86.73 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.347 3.365 . . . . 1.0 109.623 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -62.75 -54.17 43.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 1.0 109.583 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -62.18 -54.85 35.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 109.246 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.756 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -47.88 -44.96 29.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -68.58 -26.28 65.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 1.0 109.577 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.0 mm-40 -71.87 -12.71 61.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 1.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.16 -23.59 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.62 -49.89 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 1.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.465 HG13 ' HD2' ' A' ' 25' ' ' PRO . 66.3 t -102.98 134.62 19.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.481 ' HG2' ' H ' ' A' ' 26' ' ' ASP . 70.8 Cg_endo -82.69 -97.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.327 3.352 . . . . 1.0 109.566 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.481 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 19.1 t0 -41.13 122.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 1.0 109.28 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 78.4 m -86.66 -22.09 26.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 108.301 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -49.12 -24.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.18 -31.06 70.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 82.8 m -112.04 -36.27 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 108.271 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -111.97 62.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.627 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -58.4 -40.5 82.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.91 36.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.89 156.81 10.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.545 1.153 . . . . 1.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -49.89 163.44 0.53 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.271 3.314 . . . . 1.0 109.631 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.53 -155.46 17.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 1.0 111.029 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 170.11 13.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.84 101.05 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.92 51.63 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.23 35.0 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 1.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -98.66 169.82 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.733 . . . . 1.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.09 169.92 11.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 1.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.659 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.34 -42.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 1.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.6 mt-10 -35.87 -75.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 1.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.472 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.7 ttm -72.88 -47.69 43.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 1.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.25 -25.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.659 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 6.6 m-70 -100.8 -57.25 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.85 -144.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 1.0 111.013 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 1.6 mtpp -79.07 53.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 1.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.42 -62.33 0.45 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 1.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 m -120.46 -53.32 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.276 -1.009 . . . . 1.0 108.276 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 9.9 mtmt -61.35 -26.14 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.86 -42.82 85.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 1.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 t -90.19 18.89 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 2.2 m-70 -119.53 -70.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.593 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -48.9 -44.59 40.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.72 -43.94 4.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.56 -11.94 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 1.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp 65.42 45.93 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -147.53 125.79 12.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.18 178.21 17.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.453 1.096 . . . . 1.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 57.9 Cg_endo -67.46 98.28 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.281 3.32 . . . . 1.0 109.59 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 p -106.09 -14.79 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 110.42 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 164.79 12.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.51 -7.69 58.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.7 3.53 59.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 1.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -108.0 -42.79 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 1.0 110.319 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.83 -55.14 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 1.0 108.289 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 99.1 m-70 -85.73 79.65 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 1.0 109.609 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 1.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.487 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.6 t70 -71.23 -176.31 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.6 mt -157.18 134.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 1.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.491 HG11 ' OD1' ' A' ' 12' ' ' ASP . 6.7 t -118.57 138.39 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 4' ' ' ILE . 96.0 m-85 -120.13 109.35 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 1.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.09 129.09 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.826 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -135.09 146.06 48.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -86.66 13.56 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 2.3 m-20 -145.76 22.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.826 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.4 133.53 5.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 1.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.491 ' OD1' HG11 ' A' ' 5' ' ' VAL . 2.4 m-20 -54.9 139.45 40.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 1.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.66 ' O ' HG12 ' A' ' 13' ' ' VAL . 3.0 t -103.47 84.33 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 142.3 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.404 ' CE1' ' CE1' ' A' ' 20' ' ' HIS . 50.9 t80 -148.2 117.81 4.19 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 94.0 Cg_endo -76.63 103.51 1.76 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.297 3.332 . . . . 1.0 109.612 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 21.5 t60 -74.47 -53.28 9.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 109.626 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.9 ttmt -49.67 -39.72 37.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -62.54 -61.34 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.404 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 50.7 m80 -57.61 -16.31 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 2.2 mm-40 -77.8 -14.62 59.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -35.82 4.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.49 -52.62 63.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 1.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.588 HG13 ' HD2' ' A' ' 25' ' ' PRO . 57.3 t -107.92 138.81 20.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 1.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.588 ' HD2' HG13 ' A' ' 24' ' ' VAL . 87.8 Cg_endo -81.91 -93.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.315 3.344 . . . . 1.0 109.608 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.526 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 28.9 t70 -41.96 126.22 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 1.0 109.284 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 29' ' ' LYS . 66.7 m -90.15 -23.48 21.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 1.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -49.82 -21.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 1.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 27' ' ' CYS . 4.0 mmmp? -65.19 -29.49 70.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.2 m -113.63 -35.83 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 108.316 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 92.0 m-70 -112.86 70.71 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 1.0 109.577 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -39.88 92.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' NZ ' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -96.12 41.07 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 1.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' C ' ' HB3' ' A' ' 31' ' ' HIS . . . 74.88 150.4 2.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 1.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.529 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 74.6 Cg_exo -45.34 160.31 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.299 3.333 . . . . 1.0 109.611 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.88 -164.12 18.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 1.0 111.023 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 159.33 32.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 1.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.3 mt -108.39 104.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.411 ' HG2' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -80.36 50.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.63 34.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 1.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -98.08 168.56 10.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 1.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 139.42 168.78 11.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 1.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.66 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -32.14 -40.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 1.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 3.4 mm-40 -36.95 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 1.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.468 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.5 ttm -76.8 -45.1 30.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.15 -24.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.66 ' CD2' ' HB2' ' A' ' 43' ' ' LYS . 6.5 m-70 -102.16 -57.62 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 109.646 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.23 -146.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 1.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -78.91 52.84 1.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 1.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.97 -63.53 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 1.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.5 m -117.67 -51.97 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -64.12 -23.16 67.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.03 -49.66 56.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 1.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 t -87.87 24.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 1.6 m-70 -120.58 -68.89 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.68 -45.59 70.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 1.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -40.83 -43.12 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.04 -13.97 18.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 1.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt 67.19 46.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.77 122.86 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 1.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.51 176.25 16.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 1.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.27 100.7 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.315 3.343 . . . . 1.0 109.626 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.2 p -111.05 -2.02 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 110.409 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -108.38 164.55 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -8.9 59.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 1.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.23 4.19 58.53 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 1.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.49 -43.46 4.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 1.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.42 -54.25 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 108.278 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.5 m-70 -87.22 79.06 8.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.0 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 1.0 109.31 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.283 -0.636 . . . . 1.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -48.75 -24.03 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 1.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 1' ' ' ALA . 23.5 t0 -57.33 -176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 1.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.1 mt -153.4 131.68 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.613 HG12 ' OD1' ' A' ' 12' ' ' ASP . 18.3 t -114.71 136.62 50.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -117.19 103.12 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.35 121.47 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -123.86 151.42 43.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.2 12.79 9.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.5 t-20 -143.62 21.52 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 1.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.767 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.69 133.48 6.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 1.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.613 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -50.57 148.77 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 1.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.493 ' O ' HG12 ' A' ' 13' ' ' VAL . 5.2 t -117.78 92.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' CE ' ' OD2' ' A' ' 3' ' ' ASP . 2.2 mttp -66.26 141.09 58.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.689 ' CD2' HBB2 ' A' ' 102' ' ' HEM . 4.4 t80 -145.02 107.96 4.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.725 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.6 Cg_exo -63.15 95.65 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.309 3.339 . . . . 1.0 109.602 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.461 ' CE1' HE21 ' A' ' 21' ' ' GLN . 36.9 t-80 -73.09 -58.19 3.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 1.0 109.611 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 24.0 tptt -58.82 -40.58 84.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -61.74 -50.7 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -64.92 -13.81 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 1.0 109.578 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.544 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.6 mm-40 -84.0 -13.41 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -22.52 12.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.28 -45.93 11.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.645 HG13 ' HD2' ' A' ' 25' ' ' PRO . 87.0 t -104.79 139.17 19.83 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.645 ' HD2' HG13 ' A' ' 24' ' ' VAL . 76.8 Cg_endo -83.09 -97.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.317 3.345 . . . . 1.0 109.587 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.485 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 13.0 t70 -44.58 130.12 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 109.293 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.57 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 75.2 m -91.82 -20.99 20.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 108.304 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -22.62 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -64.78 -25.63 68.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.7 m -114.75 -37.53 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.0 108.288 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.531 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 95.5 m-70 -111.18 73.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.0 109.568 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -36.28 83.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -100.03 41.13 1.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 1.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.43 150.01 1.93 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.531 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 76.8 Cg_exo -46.26 137.44 14.13 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.298 3.332 . . . . 1.0 109.612 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.06 -157.39 27.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 1.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 157.93 29.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 1.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.0 mt -115.24 89.53 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -66.89 99.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 1.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.28 -7.99 5.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 1.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 93.3 t80 -58.08 168.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 1.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.492 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 136.68 179.47 16.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 1.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.679 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.55 -38.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 1.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.37 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 1.0 110.282 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.471 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.2 ttm -75.58 -45.26 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 1.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -43.56 -26.82 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 1.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.679 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 51.9 m170 -100.44 -57.96 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.23 -142.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 1.0 111.051 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 13.8 ttmt -79.89 53.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 1.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.471 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.27 -63.31 0.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 1.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -120.87 -50.94 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.503 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 8.8 mtmt -63.73 -25.07 68.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 1.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.44 -44.81 82.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 1.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.632 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 3.1 t -89.91 21.54 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 35.7 m170 -120.18 -68.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.604 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.22 -45.45 61.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 1.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.11 -43.07 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -97.05 -16.53 20.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.06 49.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 128.84 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.97 176.78 17.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 1.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.484 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.3 Cg_endo -64.18 96.48 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.322 3.348 . . . . 1.0 109.624 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.1 p -105.13 -15.85 14.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 110.43 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' HMC3 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -95.42 164.23 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 -6.96 58.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.48 0.69 61.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 1.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -104.32 -45.19 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 1.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.427 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.7 m -86.02 -53.5 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 1.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.2 m-70 -89.2 82.96 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 1.0 109.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -176.06 90.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.601 ' CMB' HBB2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.689 HBB2 ' CD2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.588 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -110.87 -23.64 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 1.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.435 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.2 t70 -59.52 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 6.1 mt -154.98 134.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.741 HG12 ' OD2' ' A' ' 12' ' ' ASP . 4.3 t -118.86 131.66 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -112.66 105.95 14.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 111.034 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.8 130.81 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 1.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.867 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -133.15 150.95 52.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -86.32 13.02 8.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -147.56 24.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.867 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.05 133.29 6.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 1.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.741 ' OD2' HG12 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -53.99 146.84 13.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 1.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 t -113.14 98.4 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 145.98 48.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.626 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 13.2 t80 -147.89 108.43 3.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 1.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.725 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 24.2 Cg_exo -62.29 85.15 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.31 3.34 . . . . 1.0 109.603 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -61.71 -52.47 64.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 1.0 109.632 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -63.84 -56.31 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.725 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -46.29 -47.22 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.407 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 21.4 m80 -65.04 -29.84 70.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.766 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 12.7 mm-40 -69.14 -13.13 62.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.93 -24.72 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.06 -49.64 6.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -94.52 124.19 56.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HG2' ' H ' ' A' ' 26' ' ' ASP . 72.3 Cg_endo -74.94 -95.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.367 3.378 . . . . 1.0 109.55 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 40.9 t0 -49.32 131.26 20.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 1.0 109.31 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.644 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 73.6 m -89.28 -23.51 22.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.58 -23.92 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 27' ' ' CYS . 2.3 mmtt -61.0 -29.59 69.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.5 m -114.79 -36.82 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 108.32 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -109.18 62.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -41.4 88.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.58 37.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.63 157.2 8.88 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 1.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.3 163.04 0.69 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.343 3.362 . . . . 1.0 109.547 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.54 -173.81 15.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 1.0 111.005 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 162.44 19.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.5 mt -117.05 84.67 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 99.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 1.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.82 -11.88 4.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 1.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.49 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 89.4 t80 -56.69 171.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 1.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 135.82 -179.55 17.67 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.479 1.112 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.675 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.24 -38.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 1.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.4 mt-10 -37.28 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.471 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.8 ttm -76.26 -43.07 43.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.21 -25.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.675 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 50.9 m170 -102.57 -56.22 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.97 -143.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.15 . . . . 1.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -80.39 53.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 1.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.471 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.51 -64.1 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.118 . . . . 1.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.7 m -117.37 -52.49 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.305 -0.998 . . . . 1.0 108.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.53 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 11.7 mtmt -63.87 -23.38 67.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 1.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.56 -52.41 34.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 1.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.602 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 13.3 t -87.61 27.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.468 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 23.5 m170 -122.57 -68.16 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 109.642 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.17 -47.35 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 1.0 110.231 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.45 -32.6 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.401 ' SD ' HMD3 ' A' ' 102' ' ' HEM . 16.0 mtp -97.93 -19.26 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.36 50.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -163.92 132.05 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.11 176.48 18.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.11 . . . . 1.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.409 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 58.9 Cg_endo -67.48 99.17 0.5 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.293 3.329 . . . . 1.0 109.632 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 p -108.54 -12.85 14.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 1.0 110.381 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 164.64 12.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 1.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -79.31 -6.51 56.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.97 4.57 56.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 1.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -108.94 -42.69 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 1.0 110.303 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.447 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -88.03 -54.36 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 1.0 108.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.449 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.7 m-70 -87.01 79.98 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.645 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' LYS . 8.8 tttt -174.24 88.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 1.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.766 ' C4B' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.635 ' CMC' HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.588 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.19 -25.16 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.418 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.0 t70 -63.02 -176.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 4.1 mt -154.97 133.23 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.759 HG12 ' OD1' ' A' ' 12' ' ' ASP . 5.5 t -118.25 136.84 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -117.79 108.01 14.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 1.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -47.6 128.26 12.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 1.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.867 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -130.9 149.91 52.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -85.83 12.81 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -146.49 23.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.867 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.98 133.84 6.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 1.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.759 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -53.4 145.42 14.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 1.0 109.267 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.475 ' O ' HG12 ' A' ' 13' ' ' VAL . 4.5 t -111.75 94.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 1.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 145.21 54.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.616 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 13.2 t80 -148.67 111.21 3.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.725 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 20.4 Cg_exo -64.25 93.41 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.28 3.32 . . . . 1.0 109.592 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -67.56 -53.64 26.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -64.89 -56.0 15.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.725 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -43.8 -49.16 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.437 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 18.7 m80 -62.78 -34.23 76.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 1.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.608 ' OE1' ' C4B' ' A' ' 101' ' ' HEM . 0.0 OUTLIER -64.66 -11.53 36.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 1.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -103.42 -25.5 13.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 1.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.17 -49.58 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 1.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.504 HG13 ' HD2' ' A' ' 25' ' ' PRO . 59.1 t -102.67 136.15 19.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.504 ' HD2' HG13 ' A' ' 24' ' ' VAL . 60.8 Cg_endo -83.94 -98.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.32 3.346 . . . . 1.0 109.576 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.476 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 9.5 t70 -39.9 129.34 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 109.34 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.588 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 82.9 m -90.77 -22.36 21.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 108.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -23.59 1.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 1.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 27' ' ' CYS . 8.6 mmpt? -61.58 -30.0 70.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 1.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.8 m -113.39 -36.11 5.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 108.283 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 91.3 m-70 -112.32 68.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 1.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -40.69 87.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 1.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.69 40.89 1.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' C ' ' HB3' ' A' ' 31' ' ' HIS . . . 75.23 150.03 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 1.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.538 ' CG ' HMB3 ' A' ' 101' ' ' HEM . 73.3 Cg_exo -45.29 156.3 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.283 3.322 . . . . 1.0 109.607 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.68 -155.97 21.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 1.0 110.998 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.68 163.2 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 1.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.5 mt -114.26 102.27 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 1.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -79.55 50.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 178.38 34.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 1.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -98.44 169.47 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 1.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.55 171.03 12.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 1.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.657 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.87 -41.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.765 . . . . 1.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.2 mm-40 -36.53 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.476 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.6 ttm -72.8 -46.73 51.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 1.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.88 -25.52 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.657 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.6 m170 -101.71 -57.17 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.46 -145.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -78.55 53.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 1.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -113.31 -64.34 0.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 1.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 m -117.62 -52.99 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.638 ' CD ' HMC3 ' A' ' 103' ' ' HEM . 2.1 mtmt -62.19 -26.33 68.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.57 -43.04 87.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 1.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.527 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 0.9 OUTLIER -89.81 18.93 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.247 -1.02 . . . . 1.0 108.247 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.5 m170 -119.73 -69.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.594 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.16 -46.04 61.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 1.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -51.91 -33.27 36.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.48 ' SD ' HMD3 ' A' ' 102' ' ' HEM . 14.6 mtp -98.23 -15.33 19.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 64.03 50.83 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.33 130.9 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.46 176.99 18.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.61 99.15 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.322 3.348 . . . . 1.0 109.617 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 p -110.17 -3.02 16.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 110.358 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.44 164.89 11.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 1.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -80.19 -9.43 59.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 108.28 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.39 3.9 59.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 1.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.08 -44.75 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 1.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.439 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -86.17 -53.6 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 1.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.448 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.7 m-70 -87.57 81.18 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.0 109.637 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -169.17 71.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.608 ' C4B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.616 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.638 HMC3 ' CD ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' C ' ' CG ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' CG ' ' C ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -169.99 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 1.0 109.285 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -60.44 -176.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 6.4 mt -155.93 131.57 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.655 HG12 ' OD1' ' A' ' 12' ' ' ASP . 4.7 t -117.92 135.89 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -116.86 99.95 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 1.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 131.45 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.866 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -134.71 151.36 50.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.97 13.99 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.6 m-20 -148.25 23.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 1.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.866 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.49 133.21 5.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 1.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.655 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -58.51 141.47 51.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 1.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.1 t -105.76 102.33 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 1.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 143.0 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.724 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 13.4 t80 -144.63 107.68 4.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.774 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 23.7 Cg_exo -62.64 93.7 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.308 3.339 . . . . 1.0 109.62 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.46 ' CE1' HE21 ' A' ' 21' ' ' GLN . 31.9 t-80 -69.55 -56.87 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 1.0 109.62 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 9.1 tptm -58.35 -45.79 87.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -57.8 -49.86 75.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -65.83 -17.66 64.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.49 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 8.0 mm-40 -81.12 -12.09 59.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -22.54 12.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 1.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.28 -49.63 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.6 t -97.08 129.3 32.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 1.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.464 ' HG2' ' H ' ' A' ' 26' ' ' ASP . 90.5 Cg_endo -79.86 -96.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.309 3.339 . . . . 1.0 109.61 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.464 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 17.4 t70 -45.06 120.37 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.572 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 71.2 m -83.3 -23.41 32.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 1.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -48.09 -24.21 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 27' ' ' CYS . 13.1 mmtt -59.99 -33.2 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.2 m -111.83 -33.74 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -113.3 62.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -59.69 -40.34 87.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.44 34.73 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.73 162.79 25.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 1.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.44 ' HB3' HMB3 ' A' ' 101' ' ' HEM . 15.8 Cg_endo -53.14 160.97 3.89 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.338 . . . . 1.0 109.587 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.81 -163.4 17.45 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.14 . . . . 1.0 111.002 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 166.78 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 1.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.6 mt -119.27 93.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 1.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.2 103.06 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.62 -20.83 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 1.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 19.5 t80 -47.38 160.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 1.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.539 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 151.74 173.46 21.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 1.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.661 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.45 -42.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 1.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -37.37 -68.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 1.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.466 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -77.95 -46.68 20.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -48.13 -23.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 1.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.661 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.3 m170 -101.52 -54.39 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.59 -140.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 1.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.9 OUTLIER -83.6 49.35 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 1.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -107.49 -63.26 0.58 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.585 1.178 . . . . 1.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.1 m -117.74 -55.07 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.557 ' HG2' HBC2 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -61.3 -22.25 64.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.07 -55.28 16.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 1.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.604 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 23.5 t -86.36 29.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.35 -0.982 . . . . 1.0 108.35 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 20.2 m170 -122.68 -68.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 1.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -52.91 -45.99 67.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -28.41 17.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 1.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.523 ' SD ' HMD3 ' A' ' 102' ' ' HEM . 9.6 mtp -99.7 -12.98 19.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm 59.21 52.02 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 1.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.33 129.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.82 175.17 15.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 1.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 57.2 Cg_endo -66.9 96.38 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.291 3.327 . . . . 1.0 109.546 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.9 p -106.13 -11.92 15.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 1.0 110.336 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -99.41 163.95 12.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -5.21 53.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 1.0 108.32 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.96 3.38 55.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.425 1.078 . . . . 1.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -108.71 -43.65 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 1.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.442 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -86.74 -52.5 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 108.299 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.436 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.8 m-70 -89.45 76.18 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.643 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.79 77.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 1.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.572 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.724 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.557 HBC2 ' HG2' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -49.76 -22.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 1.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.453 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.0 t70 -63.62 -177.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.534 HG22 ' CE2' ' A' ' 6' ' ' PHE . 4.1 mt -156.29 128.5 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.423 HG12 ' OD1' ' A' ' 12' ' ' ASP . 14.7 t -114.91 142.47 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.534 ' CE2' HG22 ' A' ' 4' ' ' ILE . 96.4 m-85 -122.93 103.23 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 1.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.93 125.91 4.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.876 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -127.89 152.28 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 1.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -87.4 14.64 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 5.3 m-20 -149.24 24.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.876 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.21 134.37 6.27 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 1.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.7 OUTLIER -55.55 143.32 30.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 1.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 t -109.44 105.66 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 145.55 37.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 1.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.681 ' CD2' HBB2 ' A' ' 102' ' ' HEM . 3.1 t80 -148.48 106.31 3.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.745 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 24.8 Cg_exo -61.67 94.12 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.299 3.333 . . . . 1.0 109.604 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.452 ' CE1' HE21 ' A' ' 21' ' ' GLN . 32.9 t-80 -70.26 -57.13 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 109.605 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 36.3 tttm -58.82 -44.79 90.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -58.72 -47.89 83.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -67.45 -14.73 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 1.0 109.676 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.5 mm-40 -84.55 -12.25 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 1.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.9 -23.59 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.98 -48.16 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.555 HG13 ' HD2' ' A' ' 25' ' ' PRO . 64.3 t -99.83 137.16 20.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.555 ' HD2' HG13 ' A' ' 24' ' ' VAL . 67.7 Cg_endo -82.62 -98.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.291 3.327 . . . . 1.0 109.57 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.478 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 15.1 t0 -44.7 128.65 6.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 109.315 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.573 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 72.7 m -89.31 -22.2 22.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -48.9 -23.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 1.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 27' ' ' CYS . 4.5 mmtt -61.59 -33.01 73.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 1.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 98.0 m -110.54 -33.31 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 108.339 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -114.65 59.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -42.21 70.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 1.0 110.287 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.41 39.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.49 159.89 8.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 1.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HB3' HMB3 ' A' ' 101' ' ' HEM . 11.0 Cg_endo -50.9 157.01 4.12 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 1.0 109.6 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.94 -164.97 20.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 1.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 163.98 26.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 mt -114.74 98.81 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -76.65 102.35 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 1.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.56 -13.09 5.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 21.9 t80 -53.51 158.82 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 1.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.51 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 153.49 168.34 17.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 1.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.642 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -30.92 -43.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 0.778 . . . . 1.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 19.6 mm-40 -35.96 -61.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 1.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.465 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 2.0 ttp -84.65 -44.79 13.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . . . -49.04 -22.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.642 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 45.6 m170 -103.08 -53.01 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 1.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.29 -138.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 1.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -85.23 48.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 1.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.465 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -106.67 -63.88 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.437 1.085 . . . . 1.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.4 m -117.25 -54.99 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.709 ' CE ' HMC3 ' A' ' 103' ' ' HEM . 0.1 OUTLIER -61.23 -21.54 63.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 1.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -68.59 -51.13 32.53 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.466 1.104 . . . . 1.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.617 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 8.2 t -88.0 25.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.269 -1.011 . . . . 1.0 108.269 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 27.6 m170 -121.31 -68.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.637 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.5 mt-10 -53.66 -45.76 70.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.74 -42.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -97.25 -17.36 19.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 1.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER 70.15 51.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -157.26 127.33 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.08 176.22 16.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.108 . . . . 1.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.431 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.7 Cg_endo -63.94 94.68 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.337 3.358 . . . . 1.0 109.598 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 p -105.65 -2.92 22.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 1.0 110.395 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -108.02 164.15 12.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -6.97 59.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.55 2.0 58.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 1.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -107.13 -44.65 4.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 0.757 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -85.31 -51.65 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 108.292 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.443 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.6 m-70 -90.64 79.34 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 109.595 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -168.75 73.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 1.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.573 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.681 HBB2 ' CD2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.709 HMC3 ' CE ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -75.87 -24.55 55.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.98 -175.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.7 mt -152.26 133.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.493 HG12 ' OD2' ' A' ' 12' ' ' ASP . 7.1 t -118.3 136.35 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -117.06 101.16 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 1.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.83 126.44 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -137.65 146.28 43.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -83.88 10.28 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 24.3 t-20 -133.94 15.39 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.633 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.28 134.5 6.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 1.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.493 ' OD2' HG12 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -54.61 134.53 46.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 1.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 13' ' ' VAL . 4.9 t -100.99 86.96 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -62.36 138.91 58.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.696 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 12.4 t80 -140.95 110.45 6.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 1.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.759 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 19.5 Cg_exo -64.5 93.41 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.345 . . . . 1.0 109.622 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -68.25 -54.91 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.635 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -64.72 -53.48 46.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -46.26 -45.29 17.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 16.5 m80 -66.86 -29.75 69.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.613 ' OE1' ' C4B' ' A' ' 101' ' ' HEM . 0.0 OUTLIER -68.16 -13.15 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 1.0 110.273 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -101.27 -25.06 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 1.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.59 -48.61 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 25' ' ' PRO . 86.0 t -97.75 136.2 21.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 1.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 24' ' ' VAL . 53.8 Cg_endo -84.43 -98.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.314 3.343 . . . . 1.0 109.625 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.496 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 3.4 t70 -44.38 132.05 6.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.321 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.591 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 75.7 m -90.89 -23.51 20.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 108.292 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -48.28 -24.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' CYS . 6.0 mmtt -60.66 -31.82 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.4 m -111.55 -35.52 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 108.291 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -112.26 60.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -40.17 77.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.278 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -94.75 40.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 1.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.58 159.89 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 1.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -51.99 153.62 11.79 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.281 3.32 . . . . 1.0 109.619 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.14 178.06 15.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 1.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 167.34 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 1.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.4 mt -121.78 80.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.11 100.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 1.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.12 -19.53 3.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.558 1.162 . . . . 1.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 82.1 t80 -49.17 171.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 1.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 136.23 178.8 16.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 1.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.684 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.0 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 1.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.9 mm-40 -37.1 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.6 ttm -76.93 -43.4 35.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.51 -25.59 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 1.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.684 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 47.5 m170 -101.21 -57.23 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.21 -142.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 1.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -80.58 53.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 1.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.06 -62.65 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 1.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.0 m -120.17 -52.24 2.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.547 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.1 OUTLIER -62.82 -25.48 68.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -65.78 -45.97 85.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 1.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.613 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 4.4 t -89.57 22.49 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.475 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 33.4 m170 -120.49 -68.64 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 1.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.25 -45.69 65.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 1.0 110.316 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.96 -43.01 2.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 1.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -97.93 -15.77 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.28 46.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 1.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -150.09 127.41 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.89 178.92 17.85 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.478 1.111 . . . . 1.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 65.1 Cg_endo -68.48 98.79 0.58 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.354 . . . . 1.0 109.613 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 p -106.33 -17.46 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 110.409 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' HMC3 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -93.63 165.07 12.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 1.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.33 -7.81 58.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 1.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.36 2.4 59.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 1.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -106.27 -40.17 5.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 1.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.448 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.5 m -91.16 -56.25 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 108.342 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.463 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.3 m-70 -85.52 77.47 9.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.602 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -173.77 89.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 1.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 1.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.613 ' C4B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.696 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.567 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -26.69 65.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 1.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.436 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 26.6 t0 -65.81 -176.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.436 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.0 mt -155.64 135.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.509 HG12 ' OD1' ' A' ' 12' ' ' ASP . 6.3 t -117.6 136.77 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' LYS . 71.2 m-85 -119.55 98.07 5.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 1.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' PHE . 6.8 mmtt -39.71 125.28 1.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.826 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -128.27 149.26 50.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -86.1 12.62 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.291 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.62 23.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.826 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.75 133.75 6.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 1.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.509 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -53.75 145.06 16.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 1.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.726 ' O ' HG12 ' A' ' 13' ' ' VAL . 8.7 t -108.35 72.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -49.55 136.1 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.608 ' CE1' ' C1B' ' A' ' 102' ' ' HEM . 34.4 t80 -144.6 118.19 5.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.66 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 89.6 Cg_endo -77.17 106.61 2.27 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.347 3.365 . . . . 1.0 109.58 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -75.66 -53.54 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 1.0 109.6 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 19.8 tttm -52.77 -57.41 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 1.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.66 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -40.7 -58.64 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.437 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 45.2 m80 -56.81 -35.15 68.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 10.9 mm-40 -65.73 -13.62 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 1.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.08 -10.26 13.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.64 -52.87 3.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 25' ' ' PRO . 91.9 t -101.14 139.12 20.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.634 ' HD2' HG13 ' A' ' 24' ' ' VAL . 88.1 Cg_endo -81.67 -94.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.329 3.353 . . . . 1.0 109.595 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.501 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 15.6 t70 -45.7 127.51 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.295 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.588 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 81.4 m -90.1 -21.89 22.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 1.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -50.14 -22.79 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 27' ' ' CYS . 12.9 mmtm -64.34 -29.01 70.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.449 ' SG ' HMC3 ' A' ' 102' ' ' HEM . 92.6 m -112.38 -36.83 5.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 108.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.9 m-70 -112.45 71.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.617 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -60.99 -39.97 91.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 1.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -95.63 40.32 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 1.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.65 150.08 2.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 1.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.55 ' CG ' HMB3 ' A' ' 101' ' ' HEM . 74.8 Cg_exo -45.5 147.66 2.62 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.304 3.336 . . . . 1.0 109.622 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.48 -157.35 26.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.13 . . . . 1.0 110.999 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 159.41 24.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 1.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -113.5 87.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 1.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 97.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.59 -8.91 4.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 1.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 91.7 t80 -55.96 168.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 1.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 140.22 176.08 14.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 1.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.679 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -33.64 -38.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 1.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.08 -73.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.481 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 6.2 ttm -80.16 -41.45 25.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.12 . . . . 1.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.25 -23.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.679 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 49.1 m170 -103.44 -57.65 2.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.602 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.1 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 1.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -78.76 53.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 1.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.481 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.53 -64.34 0.47 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 1.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 m -116.47 -51.17 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 1.1 mtmt -65.06 -22.79 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.97 -49.34 54.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 1.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.642 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 4.8 t -87.71 23.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 31.4 m170 -120.65 -68.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 1.0 109.609 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.48 -45.87 62.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -30.79 57.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 1.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.9 mtp -99.29 -9.39 23.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 1.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm 54.76 51.43 13.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 1.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.87 129.13 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 1.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.35 178.39 18.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 1.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.54 101.77 0.67 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.31 3.34 . . . . 1.0 109.636 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -112.21 -2.9 14.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 1.0 110.371 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' O ' HMC3 ' A' ' 103' ' ' HEM . 6.3 mmmm -108.55 165.75 11.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 1.0 109.236 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -7.94 59.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 1.0 108.323 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.36 3.56 58.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 1.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -109.26 -42.86 4.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 1.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.453 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -86.86 -54.19 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.418 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 99.8 m-70 -86.64 78.02 9.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 1.0 109.586 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -166.84 75.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.606 ' CGA' HMA2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.642 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.576 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.52 -22.82 67.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 1.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.3 -176.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.557 HG22 ' CE2' ' A' ' 6' ' ' PHE . 3.7 mt -149.83 129.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 1.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 t -114.97 141.93 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.557 ' CE2' HG22 ' A' ' 4' ' ' ILE . 96.5 m-85 -122.88 108.08 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 1.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -48.96 123.81 7.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 1.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.873 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -125.32 152.49 44.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HE3' ' CGA' ' A' ' 103' ' ' HEM . 7.8 mttt -87.76 14.96 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 1.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -150.09 25.77 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.873 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.99 133.49 6.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 1.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.51 141.27 37.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 t -106.75 99.84 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 144.61 48.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.672 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 11.8 t80 -147.51 109.03 3.86 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 1.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.776 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.9 Cg_exo -63.01 94.12 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.318 3.346 . . . . 1.0 109.599 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 30.1 t-80 -71.62 -58.33 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 1.0 109.598 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 16.2 tttt -57.6 -39.11 76.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.776 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -64.05 -54.3 36.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -61.91 -14.13 31.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.578 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.507 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 8.3 mm-40 -82.03 -13.35 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 1.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.21 -20.01 13.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.85 -46.08 9.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 1.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -110.34 102.76 52.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.04 -70.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.344 3.362 . . . . 1.0 109.574 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -60.9 125.67 24.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 1.0 109.369 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.589 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 82.2 m -91.68 -23.4 19.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 108.365 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -50.18 -22.25 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -64.54 -28.45 69.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.7 m -114.35 -35.85 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 108.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 94.9 m-70 -112.26 70.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.63 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -62.73 -40.28 96.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.25 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 41.75 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 1.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.69 151.56 2.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 1.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.542 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 74.9 Cg_exo -46.94 154.91 0.97 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.314 3.343 . . . . 1.0 109.605 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.43 -167.65 22.97 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.509 1.131 . . . . 1.0 110.973 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 161.25 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 1.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.5 mt -117.23 95.89 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.14 104.85 3.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 110.332 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.45 -20.01 5.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 1.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 27.3 t80 -47.5 160.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 1.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 151.33 172.77 20.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 1.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.648 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.37 -42.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 1.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -36.78 -70.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 1.0 110.245 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.479 ' HG3' ' CA ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -75.87 -48.53 21.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 1.0 111.005 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.94 -25.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.648 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.8 m170 -100.55 -55.51 2.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 1.0 109.588 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.05 -139.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.142 . . . . 1.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.45 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 1.5 mttt -82.92 51.12 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 1.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.479 ' CA ' ' HG3' ' A' ' 45' ' ' MET . . . -109.65 -62.93 0.52 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 1.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -119.22 -54.97 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.672 ' CE ' HMC3 ' A' ' 103' ' ' HEM . 0.1 OUTLIER -61.09 -23.84 65.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.26 -49.93 48.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.609 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 7.6 t -88.52 25.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.251 -1.018 . . . . 1.0 108.251 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.473 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 28.2 m170 -121.63 -68.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 109.61 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.2 mt-10 -53.45 -45.79 69.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.42 -40.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -97.94 -17.62 19.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 1.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER 70.33 51.61 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 1.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.72 129.7 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.27 175.91 16.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 1.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.475 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.1 Cg_endo -64.96 96.4 0.26 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.308 3.338 . . . . 1.0 109.58 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.4 p -106.46 -11.46 15.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.71 163.73 12.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -6.05 57.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 108.273 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.79 2.61 58.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.166 . . . . 1.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -107.92 -46.42 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 1.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.434 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -83.63 -51.69 7.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 108.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.9 m-70 -90.44 82.42 5.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 1.0 109.638 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -171.26 70.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 1.0 109.29 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.7 pttp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 1.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.589 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.672 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.672 HMC3 ' CE ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -56.42 -22.97 35.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.79 -176.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.5 mt -151.49 131.87 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.361 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -116.3 139.22 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 1.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -118.29 96.41 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -41.85 122.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -129.06 146.76 50.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 1.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.1 10.6 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.99 17.45 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 1.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.831 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 115.98 135.15 5.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.84 136.08 57.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 t -103.63 98.75 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 1.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.07 142.42 50.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.732 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 8.7 t80 -145.33 108.75 4.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.787 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 18.1 Cg_exo -64.91 94.34 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.329 3.353 . . . . 1.0 109.618 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' CE1' HE21 ' A' ' 21' ' ' GLN . 39.3 t-80 -72.0 -58.26 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 1.0 109.596 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.0 tptt -58.55 -39.11 79.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.787 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -63.34 -51.71 64.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -64.5 -12.61 45.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 1.0 109.631 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.7 mm-40 -83.64 -13.79 53.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 1.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.06 -20.36 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.03 -44.52 10.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 1.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 26' ' ' ASP . 84.0 t -110.59 102.77 52.89 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 1.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.76 -70.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.314 3.343 . . . . 1.0 109.593 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.406 ' O ' HG12 ' A' ' 24' ' ' VAL . 22.2 t0 -60.55 126.81 28.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 1.0 109.269 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.604 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 74.1 m -93.79 -23.0 18.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 108.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -50.24 -22.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 1.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -66.22 -26.52 67.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.0 m -114.04 -37.23 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 1.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.409 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.6 m-70 -112.6 58.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -57.21 -42.11 80.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 1.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -92.02 38.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 1.0 109.304 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.9 155.17 8.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 1.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 9.8 Cg_endo -50.94 158.69 2.92 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.301 3.334 . . . . 1.0 109.574 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.44 -164.61 17.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 1.0 111.037 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.74 166.61 23.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 1.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mt -121.06 79.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.18 102.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.7 -16.78 4.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 1.0 111.017 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.453 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 94.6 t80 -50.5 169.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 0.796 . . . . 1.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 135.62 177.7 15.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 1.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.673 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.3 -38.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 1.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.49 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 1.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.475 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 6.8 ttm -78.5 -43.88 25.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 1.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.56 -25.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.673 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.2 m170 -101.16 -57.89 2.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.615 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.26 -143.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 1.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -79.92 53.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.59 -64.12 0.49 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 1.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.2 m -120.22 -50.28 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -63.67 -26.62 68.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 1.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -65.25 -41.94 96.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 1.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.632 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 3.7 t -91.08 20.91 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.432 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 33.2 m170 -119.41 -68.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.33 -45.5 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 1.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.57 -42.39 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 1.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mtt -97.74 -16.52 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.31 48.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 1.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -154.1 131.11 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 1.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.34 176.82 18.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.551 1.157 . . . . 1.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.481 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.7 Cg_endo -64.69 101.03 0.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.323 3.349 . . . . 1.0 109.588 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -109.18 -14.18 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.41 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' HMC3 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -96.13 164.25 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -7.71 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 108.349 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.53 -0.89 64.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 1.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -102.89 -46.66 4.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 1.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.425 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 3.5 m -85.51 -53.0 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 94.9 m-70 -90.79 78.69 6.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 1.0 109.552 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.6 87.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.298 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.663 HMD1 ' O1D' ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.732 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.579 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -48.28 -23.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 1' ' ' ALA . 5.5 t70 -64.94 -176.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 mt -149.26 134.09 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 1.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.622 HG12 ' OD1' ' A' ' 12' ' ' ASP . 11.7 t -116.94 138.53 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 1.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.78 99.41 6.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -43.36 131.65 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -140.37 149.6 42.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 1.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -85.29 12.39 8.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.9 t30 -138.96 18.75 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.645 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.82 132.87 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 1.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.622 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -55.43 136.34 49.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 1.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 t -102.96 98.77 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.51 144.42 49.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.704 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 14.5 t80 -146.85 109.97 4.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.774 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.4 Cg_exo -63.26 96.57 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.293 3.329 . . . . 1.0 109.623 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 28.8 t-80 -72.91 -58.62 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 109.609 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 4.9 tttt -58.24 -40.58 82.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 1.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -61.79 -51.83 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -64.43 -12.42 43.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 1.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.537 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.6 mm-40 -85.39 -10.92 55.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 1.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.47 -20.43 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.83 -48.96 7.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 1.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.494 HG21 ' CBC' ' A' ' 102' ' ' HEM . 61.3 t -111.82 101.11 50.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -55.28 -70.32 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.383 3.389 . . . . 1.0 109.59 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -55.51 122.49 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.601 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 69.8 m -91.52 -22.66 20.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 1.0 108.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -50.46 -22.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 1.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -65.62 -25.86 67.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.6 m -116.11 -37.64 3.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 1.0 108.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 91.0 m-70 -112.21 73.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 1.0 109.616 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -42.84 99.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 40.05 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.24 150.89 3.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 1.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.577 ' CG ' HMB3 ' A' ' 101' ' ' HEM . 76.3 Cg_exo -46.12 143.02 7.92 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.308 3.339 . . . . 1.0 109.597 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.85 -156.81 27.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 1.0 111.021 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 165.6 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 1.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.3 mt -121.61 91.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.76 98.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 1.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.62 -11.49 4.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 1.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.464 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 94.2 t80 -54.57 169.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 1.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 137.12 179.31 16.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 1.0 111.041 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.677 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -33.7 -38.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 1.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.3 tt0 -37.4 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.478 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.0 ttm -77.57 -43.21 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 1.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.35 -25.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.677 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 49.5 m170 -102.08 -57.22 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 109.557 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.79 -145.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 1.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -78.84 53.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.777 . . . . 1.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.478 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.37 -64.31 0.47 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 1.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.7 m -118.28 -51.63 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.52 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -62.89 -25.85 68.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 1.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -68.07 -41.56 86.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 1.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.565 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 1.1 t -91.0 19.06 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' LYS . 41.7 m170 -119.6 -69.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 1.0 109.603 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -49.94 -46.91 52.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 110.351 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -53.11 -31.55 42.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 1.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.493 ' SD ' HMD3 ' A' ' 102' ' ' HEM . 12.2 mtp -97.01 -18.66 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 66.85 50.75 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 1.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.47 130.47 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.67 174.28 16.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 1.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 44.8 Cg_endo -65.86 96.96 0.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.305 3.337 . . . . 1.0 109.62 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.7 p -104.3 -20.59 13.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 1.0 110.429 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.502 ' O ' HMC3 ' A' ' 103' ' ' HEM . 2.5 mptt -89.9 164.77 14.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 1.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -9.34 59.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.32 2.17 62.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 1.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -104.63 -43.37 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 1.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.456 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.5 m -88.5 -53.83 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 1.0 108.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.422 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.7 m-70 -87.75 82.39 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.77 87.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 1.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.601 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.704 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.581 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.559 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 1.2 m-20 86.92 -24.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -64.5 -176.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 1.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.497 HG22 ' CE2' ' A' ' 6' ' ' PHE . 3.5 mt -153.96 125.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 1.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.634 HG12 ' OD1' ' A' ' 12' ' ' ASP . 6.6 t -114.62 138.14 45.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.506 1.129 . . . . 1.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CE2' HG22 ' A' ' 4' ' ' ILE . 97.2 m-85 -118.53 99.73 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.31 128.7 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.875 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -132.05 151.37 51.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -86.63 14.02 7.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 1.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -148.32 24.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.875 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.36 133.51 6.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 1.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.634 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -57.82 138.79 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 1.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 t -102.83 99.52 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 1.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 144.28 48.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.699 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 14.2 t80 -146.45 109.08 4.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 1.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.762 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 23.4 Cg_exo -62.86 94.05 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.353 3.369 . . . . 1.0 109.557 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.469 ' CE1' HE21 ' A' ' 21' ' ' GLN . 31.0 t-80 -71.34 -58.4 3.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 1.0 109.63 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.0 ttpp -57.24 -39.62 75.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -64.12 -53.54 47.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 1.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -62.35 -15.77 50.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 1.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.513 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 8.7 mm-40 -80.08 -11.93 59.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 110.298 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.22 -34.35 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.63 -51.25 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.579 HG13 ' HD2' ' A' ' 25' ' ' PRO . 61.5 t -98.33 138.22 20.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.579 ' HD2' HG13 ' A' ' 24' ' ' VAL . 64.8 Cg_endo -82.82 -98.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.361 3.374 . . . . 1.0 109.614 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.474 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 18.4 t0 -44.34 127.98 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.576 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 71.2 m -87.24 -22.86 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 1.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -48.4 -23.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 1.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 27' ' ' CYS . 9.6 mmpt? -60.34 -32.88 71.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.3 m -111.64 -34.09 6.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 108.31 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -112.8 57.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.602 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -41.49 69.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.66 38.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.75 160.94 9.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.148 . . . . 1.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -52.51 160.74 3.38 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.263 3.309 . . . . 1.0 109.609 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.49 -165.49 16.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 1.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 162.33 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 1.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.3 mt -114.8 84.45 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.78 103.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 1.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.05 -10.72 5.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.15 . . . . 1.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 48.1 t80 -57.3 163.41 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.766 . . . . 1.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 147.19 172.23 17.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 1.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.656 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 1.8 ptpt -31.24 -42.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 1.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.2 mt-10 -36.89 -68.01 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.47 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.8 OUTLIER -78.85 -47.33 16.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 1.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.91 -24.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.656 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.8 m170 -101.22 -54.52 2.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.58 -138.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 1.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -84.49 49.84 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 1.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -108.63 -61.41 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 1.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 m -119.7 -55.74 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.712 ' CE ' HMC3 ' A' ' 103' ' ' HEM . 0.1 OUTLIER -60.94 -21.92 63.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' O ' ' OE2' ' A' ' 57' ' ' GLU . . . -67.47 -52.6 29.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 1.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.623 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 11.1 t -87.73 27.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 23.9 m170 -122.69 -67.98 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.592 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' LYS . 7.5 mt-10 -54.69 -48.22 72.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -41.68 -39.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 1.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -97.19 -18.53 19.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLU . 21.2 mmtt 69.03 51.24 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.84 124.45 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.83 174.95 14.8 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 1.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.456 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.6 Cg_endo -64.45 95.82 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.294 3.329 . . . . 1.0 109.563 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 p -106.69 0.6 24.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 110.412 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -110.37 164.95 12.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 1.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -7.81 59.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 1.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.74 3.27 58.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 1.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -109.62 -43.27 4.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 1.0 110.325 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -85.87 -52.69 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 108.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.44 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 99.5 m-70 -88.86 81.39 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.623 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' LYS . 4.3 tttp -170.7 72.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.3 pttp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 1.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.576 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.699 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.712 HMC3 ' CE ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 1.0 109.283 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -48.47 -23.09 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 1' ' ' ALA . 6.1 t70 -63.82 -176.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.5 mt -152.21 133.3 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.533 HG12 ' OD2' ' A' ' 12' ' ' ASP . 8.9 t -120.17 136.83 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -116.33 98.67 6.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.04 124.5 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -130.65 147.05 52.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 1.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -84.58 11.11 9.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.1 t-20 -140.5 19.05 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.882 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 116.71 134.59 5.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 1.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.533 ' OD2' HG12 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -61.52 135.09 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.753 . . . . 1.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 t -103.08 103.12 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 147.44 40.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.715 ' CD2' HBB2 ' A' ' 102' ' ' HEM . 4.7 t80 -150.42 108.19 3.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.813 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 17.8 Cg_exo -65.26 97.3 0.3 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.31 3.34 . . . . 1.0 109.61 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.46 ' CE1' HE21 ' A' ' 21' ' ' GLN . 36.6 t-80 -71.69 -58.22 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 109.627 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.6 tptt -59.06 -44.9 91.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.813 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -57.46 -46.16 83.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 1.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -69.92 -13.5 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.612 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.529 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.7 mm-40 -83.97 -12.02 55.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 -19.73 13.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 1.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.14 -47.22 8.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.431 HG21 ' CBC' ' A' ' 102' ' ' HEM . 57.9 t -109.73 103.54 53.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 1.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -56.4 -70.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.306 3.337 . . . . 1.0 109.631 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.72 126.85 28.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 1.0 109.315 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.607 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 70.1 m -93.21 -22.49 19.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -49.55 -23.11 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' CYS . 1.5 mmtp -64.57 -27.95 69.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.5 m -113.83 -36.75 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 108.323 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -113.72 64.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.586 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -36.49 80.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 1.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 24.05 3.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.35 156.59 32.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 1.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -51.74 153.1 11.9 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.293 3.329 . . . . 1.0 109.624 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.19 -173.13 17.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 1.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 169.35 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.774 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.603 HD12 ' O2D' ' A' ' 101' ' ' HEM . 13.6 mt -121.02 88.88 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.76 100.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.38 -12.19 4.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 1.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 89.1 t80 -54.13 168.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 1.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.23 176.6 14.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 1.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.672 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.08 -39.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 1.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.5 tt0 -37.37 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 1.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.8 ttm -76.87 -43.43 36.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.03 -24.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.672 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.3 m170 -102.76 -56.66 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 1.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.9 -143.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 1.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 9.8 mttp -80.15 53.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.96 -64.18 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 1.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.9 m -118.51 -51.63 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.353 -0.98 . . . . 1.0 108.353 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.592 ' CD ' HMC3 ' A' ' 103' ' ' HEM . 0.5 OUTLIER -62.46 -27.38 69.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 1.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.54 -42.91 93.3 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.112 . . . . 1.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.535 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 1.2 t -89.63 18.89 5.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 40.9 m170 -119.54 -69.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 1.0 109.612 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -51.63 -44.52 62.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 1.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.55 -43.11 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -99.61 -13.82 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp 67.56 47.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 1.0 109.247 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -151.54 124.72 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.44 176.85 16.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.7 Cg_endo -64.17 99.56 0.29 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.328 3.352 . . . . 1.0 109.58 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.8 p -109.6 -5.6 15.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 1.0 110.366 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -106.49 165.99 10.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -7.88 59.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 1.0 108.286 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.32 1.17 60.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 1.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -105.9 -44.79 4.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 1.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.43 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.4 m -87.04 -54.11 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 1.0 108.235 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.9 m-70 -87.53 71.71 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.32 71.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 1.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.798 ' CGA' HMA1 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.715 HBB2 ' CD2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.592 HMC3 ' CD ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.52 -24.62 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.16 -176.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.0 mt -153.11 133.04 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.7 HG12 ' OD1' ' A' ' 12' ' ' ASP . 4.0 t -119.28 137.26 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -118.3 105.35 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.6 131.59 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.853 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -136.4 150.65 48.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 1.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -86.15 12.85 8.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.49 ' OD1' ' HB1' ' A' ' 8' ' ' ALA . 2.7 p30 -146.16 23.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.853 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.82 134.09 6.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 1.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.7 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -56.88 137.96 54.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 1.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.4 t -102.02 102.02 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 145.08 43.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.668 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 12.7 t80 -146.61 108.89 4.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 1.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.745 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 23.2 Cg_exo -63.03 96.42 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.318 3.346 . . . . 1.0 109.623 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -73.48 -56.49 4.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 109.594 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -60.86 -41.7 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -60.08 -54.93 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -58.35 -23.44 56.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 1.0 109.594 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.775 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 13.3 mm-40 -74.15 -12.09 60.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.34 -24.07 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.54 -49.33 6.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 25' ' ' PRO . 64.1 t -97.52 138.55 21.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 1.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.603 ' HD2' HG13 ' A' ' 24' ' ' VAL . 40.3 Cg_endo -85.67 -101.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.339 3.359 . . . . 1.0 109.64 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.49 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 3.6 t70 -41.7 133.06 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 1.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.572 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 71.5 m -91.63 -25.36 19.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 108.258 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.2 -24.76 0.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 27' ' ' CYS . 20.9 mmtt -59.29 -33.37 71.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 1.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 84.6 m -111.76 -33.45 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 1.0 108.306 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -112.73 63.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.557 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -59.68 -40.43 87.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 35.64 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.26 160.17 14.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 1.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.539 ' HB3' HMB3 ' A' ' 101' ' ' HEM . 9.6 Cg_endo -50.76 162.28 1.07 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.314 3.343 . . . . 1.0 109.589 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.78 -160.49 17.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.445 1.091 . . . . 1.0 110.972 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.58 165.09 21.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.9 mt -117.22 86.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.56 99.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.88 -12.93 4.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 1.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 35.8 t80 -54.93 161.04 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 0.728 . . . . 1.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 150.87 171.03 18.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 1.0 110.971 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.654 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.51 -42.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 1.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.2 mm-40 -36.63 -64.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 1.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.468 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 1.2 ttp -82.83 -44.31 15.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . . . -49.05 -23.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 1.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.654 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 46.5 m170 -102.93 -52.65 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 1.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.29 -138.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 1.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 2.9 ttmm -85.99 48.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 1.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -106.88 -62.8 0.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 1.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.7 m -116.88 -56.08 2.3 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.304 -0.998 . . . . 1.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.671 ' CE ' HMC3 ' A' ' 103' ' ' HEM . 0.1 OUTLIER -61.5 -20.61 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.16 -57.32 10.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 1.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.621 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 22.2 t -85.82 30.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.465 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 20.3 m170 -123.27 -67.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 109.555 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -54.49 -47.54 72.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -46.59 -30.63 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.495 ' SD ' HMD3 ' A' ' 102' ' ' HEM . 15.9 mtp -99.47 -20.08 16.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? 69.12 50.64 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -164.61 134.96 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.4 175.69 18.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.515 1.134 . . . . 1.0 111.052 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -65.85 98.11 0.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.336 3.357 . . . . 1.0 109.587 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 p -109.11 -9.53 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.424 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.7 163.26 12.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 1.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.94 -4.51 50.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 1.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -103.06 5.19 49.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 1.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.63 -43.75 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 1.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.446 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -86.32 -52.18 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 108.317 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.464 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.3 m-70 -89.69 82.49 6.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.69 86.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tptt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 1.0 109.261 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.775 ' C4B' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.668 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.671 HMC3 ' CE ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.51 -24.03 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.48 -176.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.479 HG22 ' CE2' ' A' ' 6' ' ' PHE . 3.7 mt -154.19 131.81 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 1.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.479 HG12 ' OD1' ' A' ' 12' ' ' ASP . 19.6 t -115.29 142.11 29.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.479 ' CE2' HG22 ' A' ' 4' ' ' ILE . 92.6 m-85 -122.67 97.62 5.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -40.17 122.89 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 1.0 109.237 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -126.6 151.99 47.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 1.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -86.71 13.9 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.229 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -145.96 23.46 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.785 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 110.73 134.12 6.57 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.118 . . . . 1.0 111.045 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.479 ' OD1' HG12 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -51.91 140.9 18.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 1.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 13' ' ' VAL . 3.1 t -106.72 93.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 142.1 57.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.65 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 10.2 t80 -146.55 110.5 4.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.775 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 19.2 Cg_exo -64.72 94.13 0.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.306 3.337 . . . . 1.0 109.601 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.453 ' CE1' HE21 ' A' ' 21' ' ' GLN . 35.1 t-80 -71.55 -57.95 3.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.616 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -58.75 -40.56 84.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.243 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.775 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -62.02 -51.15 69.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -64.49 -13.72 53.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 1.0 109.56 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.534 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.8 mm-40 -84.27 -12.27 54.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 1.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -21.46 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.87 -46.23 11.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 1.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.638 HG13 ' HD2' ' A' ' 25' ' ' PRO . 91.4 t -108.71 138.72 20.36 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.638 ' HD2' HG13 ' A' ' 24' ' ' VAL . 67.0 Cg_endo -82.72 -98.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.375 3.384 . . . . 1.0 109.601 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.483 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 26.7 t70 -39.6 126.79 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.573 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 72.9 m -91.03 -21.13 21.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -50.75 -24.47 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 1.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -62.98 -25.63 68.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 84.7 m -114.88 -38.26 3.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 108.306 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.532 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 95.6 m-70 -110.94 73.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -37.81 88.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.1 40.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.04 150.05 2.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 1.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.532 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 77.3 Cg_exo -46.2 134.79 15.29 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.29 3.327 . . . . 1.0 109.564 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.4 -173.98 25.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 1.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 156.13 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -112.67 98.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 1.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.86 101.12 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.69 -3.3 6.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 1.0 111.039 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -61.92 166.81 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 1.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 141.35 172.57 13.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 1.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.69 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.33 -42.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 1.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' GLY . 14.4 mt-10 -37.25 -73.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 1.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.489 ' HG3' ' CA ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -71.91 -50.68 27.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.986 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.97 -27.16 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.69 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.4 m170 -99.74 -57.04 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 1.0 109.586 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.23 -143.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.551 1.157 . . . . 1.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -79.6 53.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 0.719 . . . . 1.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.489 ' CA ' ' HG3' ' A' ' 45' ' ' MET . . . -112.0 -63.65 0.48 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 1.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.6 m -119.25 -50.81 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HE2' ' CHC' ' A' ' 103' ' ' HEM . 1.3 mttp -63.24 -26.21 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.6 -43.95 83.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.536 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 1.0 OUTLIER -89.47 19.14 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.28 -1.007 . . . . 1.0 108.28 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 40.5 m170 -119.75 -68.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.624 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -49.53 -44.77 46.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -42.8 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 1.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mtt -97.93 -15.89 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 1.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.2 49.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.69 130.44 10.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.2 176.92 17.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.479 1.112 . . . . 1.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 35.7 Cg_endo -64.33 99.69 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 124.331 3.354 . . . . 1.0 109.562 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -108.9 -10.37 15.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 1.0 110.419 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -100.3 163.23 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -5.6 54.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 1.0 108.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.45 1.35 58.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 1.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -105.5 -45.09 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 1.0 110.287 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.437 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.7 m -86.81 -53.45 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 108.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.6 m-70 -89.07 79.6 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 1.0 109.567 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -171.52 71.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 109.259 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.593 ' CMB' HBB2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.65 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.583 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -45.26 -24.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' N ' ' C ' ' A' ' 1' ' ' ALA . 6.5 t70 -54.06 -176.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.431 HG22 ' CE2' ' A' ' 6' ' ' PHE . 4.6 mt -153.83 131.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.418 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 21.9 t -115.14 139.64 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.431 ' CE2' HG22 ' A' ' 4' ' ' ILE . 92.2 m-85 -120.18 106.44 11.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 1.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -46.3 128.77 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 1.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -131.2 146.82 52.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 1.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.04 10.93 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -143.87 21.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.828 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.69 131.85 5.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.147 . . . . 1.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -49.54 149.7 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 1.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 13' ' ' VAL . 3.9 t -116.39 90.39 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 142.9 58.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.659 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 8.9 t80 -147.76 108.69 3.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 1.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.763 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.2 Cg_exo -63.42 93.21 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.267 3.311 . . . . 1.0 109.616 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 32.6 t-80 -70.5 -57.87 4.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.611 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -58.56 -41.26 85.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 1.0 109.344 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -61.79 -50.69 71.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 1.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -65.03 -14.28 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 1.0 109.61 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.511 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.8 mm-40 -82.95 -12.43 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 1.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.94 -21.56 12.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 1.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.4 -46.74 9.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 1.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.463 HG21 ' CBC' ' A' ' 102' ' ' HEM . 77.2 t -111.65 101.55 51.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.12 -70.48 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.346 . . . . 1.0 109.608 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -57.11 125.01 20.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.588 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 82.0 m -92.75 -24.55 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 108.325 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -49.84 -23.33 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 1.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -26.82 68.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 1.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 91.9 m -114.66 -37.94 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 108.257 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -109.74 66.01 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 1.0 109.615 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -40.28 94.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -94.89 38.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 1.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.19 164.75 22.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 1.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -54.88 161.45 6.28 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.285 3.323 . . . . 1.0 109.6 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.52 -171.86 14.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 1.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 164.12 20.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.479 HD12 ' O1D' ' A' ' 101' ' ' HEM . 19.4 mt -114.56 87.14 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 1.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.17 100.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.69 -5.44 5.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.437 1.086 . . . . 1.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.78 168.86 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.06 175.77 14.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 1.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.676 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -32.83 -39.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 1.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -36.57 -77.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.467 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.1 ttm -73.89 -47.32 38.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 1.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -43.51 -26.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 1.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.676 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.9 m170 -99.95 -57.79 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 109.631 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.14 -142.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 1.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 4.3 mmtt -79.77 53.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 1.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.24 -62.78 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 1.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 m -121.28 -52.75 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HG2' HBC2 ' A' ' 103' ' ' HEM . 11.5 mtmt -61.24 -28.12 68.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 1.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.87 -42.03 93.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 1.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.535 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 0.8 OUTLIER -90.21 18.44 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.5 m170 -119.75 -69.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 1.0 109.575 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -50.63 -43.92 57.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -43.93 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.61 -13.28 19.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 67.16 47.82 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -150.56 123.78 8.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.07 177.31 16.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 1.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.17 100.76 0.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.308 3.338 . . . . 1.0 109.607 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 p -109.81 -7.17 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.388 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.534 ' O ' HMC3 ' A' ' 103' ' ' HEM . 10.0 mmtt -102.97 164.45 11.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -9.23 59.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 108.308 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.86 1.05 61.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 1.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -43.18 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 1.0 110.364 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.429 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.6 m -87.4 -54.43 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 1.0 108.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.451 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.2 m-70 -87.11 75.18 9.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.605 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.29 80.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.588 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.659 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.598 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.37 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 109.342 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -61.84 -177.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 1.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 7.8 mt -157.44 133.53 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 t -118.58 135.6 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -116.83 103.14 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 1.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -44.96 129.89 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 1.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -138.09 149.73 46.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -85.54 13.1 7.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -140.5 20.14 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.653 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 110.1 134.02 6.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.127 . . . . 1.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.2 138.16 32.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 1.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.553 ' O ' HG12 ' A' ' 13' ' ' VAL . 4.0 t -104.41 90.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 1.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 142.27 58.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.619 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 13.6 t80 -143.4 112.58 5.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 1.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.763 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 19.0 Cg_exo -64.59 96.0 0.24 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.292 3.328 . . . . 1.0 109.626 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -70.24 -55.44 9.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.61 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.2 ttmm -62.72 -51.1 68.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 1.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.67 -44.41 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.426 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 19.2 m80 -70.26 -21.33 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.2 mm-40 -76.39 -12.7 60.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -104.35 -28.56 11.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.22 -48.98 11.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.494 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.4 t -103.64 135.34 19.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.494 ' HD2' HG13 ' A' ' 24' ' ' VAL . 69.5 Cg_endo -82.85 -97.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.37 3.38 . . . . 1.0 109.584 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.485 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 20.8 t0 -42.88 124.44 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.268 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.587 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 80.1 m -85.84 -21.22 28.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 1.0 108.313 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -50.22 -22.83 1.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 1.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -63.26 -28.84 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.8 m -113.25 -36.48 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.538 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.2 m-70 -112.58 70.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 109.561 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.28 96.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.68 40.3 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.95 150.61 2.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 1.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.538 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 75.6 Cg_exo -46.05 149.47 2.32 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.335 3.357 . . . . 1.0 109.604 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.67 -157.38 25.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 1.0 111.037 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.37 162.8 24.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 1.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.83 86.8 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.14 102.02 0.77 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 1.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.54 -10.05 5.82 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.539 1.149 . . . . 1.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 37.2 t80 -55.36 161.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 1.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 149.42 172.08 18.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 1.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.642 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 1.4 ptpt -31.22 -42.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 1.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' GLY . 23.8 mt-10 -37.09 -69.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.464 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.5 OUTLIER -76.91 -47.39 21.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 111.022 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.73 -23.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.642 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 56.8 m170 -101.92 -55.28 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 109.619 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.61 -142.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 1.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 6.8 pttp -82.16 50.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 1.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -109.32 -63.2 0.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 1.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 m -117.44 -57.36 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.669 ' CE ' HMC3 ' A' ' 103' ' ' HEM . 0.2 OUTLIER -59.7 -23.42 63.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.462 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.45 -48.38 57.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 1.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.552 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 4.5 t -89.14 23.35 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 34.0 m170 -120.76 -68.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -52.7 -45.71 67.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 1.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.38 -42.73 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 1.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.09 -15.66 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 1.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.95 47.1 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.3 126.21 10.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 1.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.82 178.84 17.37 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 1.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.427 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 60.8 Cg_endo -67.69 100.34 0.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.283 3.322 . . . . 1.0 109.613 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -109.92 -9.84 14.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 110.373 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.68 163.34 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -5.33 52.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 108.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.97 3.73 55.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.157 . . . . 1.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -108.64 -45.57 3.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 1.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -85.09 -52.1 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 108.291 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.452 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.0 m-70 -90.36 84.23 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 109.57 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -172.81 88.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.616 ' CMB' HBB2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.619 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.669 HMC3 ' CE ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.336 -0.616 . . . . 1.0 109.336 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -49.2 -25.38 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.444 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -64.32 -176.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.8 mt -155.62 132.14 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 t -116.32 139.5 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -119.39 105.06 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.26 127.91 11.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -135.64 145.37 46.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.33 9.61 10.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 11.3 t30 -136.1 15.95 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.806 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 116.4 134.62 5.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 1.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.97 139.08 47.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 1.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.401 HG11 HMD3 ' A' ' 103' ' ' HEM . 7.4 t -108.6 99.72 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 1.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 147.49 43.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.727 ' CD2' HBB2 ' A' ' 102' ' ' HEM . 3.5 t80 -149.86 108.23 3.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.753 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 19.5 Cg_exo -64.57 99.75 0.32 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.308 3.339 . . . . 1.0 109.575 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -72.39 -54.55 9.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 1.0 109.604 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.8 ttpt -65.48 -52.59 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.753 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -46.33 -45.25 17.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.469 ' ND1' ' O ' ' A' ' 16' ' ' PRO . 18.5 m80 -67.18 -28.14 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 9.3 mm-40 -68.9 -12.06 61.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 1.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.46 -30.67 9.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.37 -46.73 13.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 1.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.621 HG13 ' HD2' ' A' ' 25' ' ' PRO . 99.1 t -102.86 138.97 19.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.621 ' HD2' HG13 ' A' ' 24' ' ' VAL . 37.4 Cg_endo -86.21 -101.63 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.319 3.346 . . . . 1.0 109.628 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.482 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 14.8 t70 -41.17 131.34 2.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.566 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 80.8 m -91.97 -23.12 19.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 108.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -49.14 -24.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' CE ' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -61.45 -31.82 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.3 m -108.36 -36.31 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 108.323 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' CE1' ' ND ' ' A' ' 101' ' ' HEM . 87.0 m-70 -113.15 61.12 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 1.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -41.8 93.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 34.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.44 159.84 26.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 1.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -53.49 153.71 17.3 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.271 3.314 . . . . 1.0 109.566 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.86 -178.71 16.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 1.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 174.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 1.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.987 HD12 ' O2D' ' A' ' 101' ' ' HEM . 26.2 mt -126.15 92.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.25 102.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.46 -7.79 5.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.142 . . . . 1.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.414 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 86.6 t80 -57.57 167.4 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 1.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 139.33 175.21 13.98 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.453 1.096 . . . . 1.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.694 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.32 -39.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 1.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -36.95 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.471 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.1 ttm -75.72 -46.8 29.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.85 -27.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.694 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 53.0 m170 -98.88 -59.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 109.556 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.33 -141.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.143 . . . . 1.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -79.51 53.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 1.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.471 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -113.01 -61.53 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 1.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 33.5 m -122.69 -53.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -60.61 -30.58 69.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 1.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -64.88 -40.03 96.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 1.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.575 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 0.6 OUTLIER -90.63 18.72 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.287 -1.005 . . . . 1.0 108.287 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -119.67 -69.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -49.29 -42.36 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.97 -46.88 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 1.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -10.17 25.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 1.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp 63.37 45.94 4.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.248 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HB3' ' CBD' ' A' ' 102' ' ' HEM . 2.7 mtmt -146.18 126.38 13.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.02 179.49 17.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 1.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.448 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 47.6 Cg_endo -66.52 104.16 0.75 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.306 3.337 . . . . 1.0 109.545 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.7 p -111.59 -2.83 15.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 110.421 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' O ' HMC3 ' A' ' 103' ' ' HEM . 2.2 mmmt -107.51 164.84 11.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 1.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -8.99 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 108.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.16 -0.13 63.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 2.5 tp10 -103.38 -43.37 5.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 1.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.437 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.8 m -87.94 -54.03 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 108.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.45 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.4 m-70 -88.52 73.91 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 1.0 109.587 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' LYS . 6.5 tttt -167.12 75.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.987 ' O2D' HD12 ' A' ' 38' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.727 HBB2 ' CD2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.569 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.567 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 4.0 m-20 87.88 -25.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.3 t70 -64.7 -176.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 3.5 mt -154.74 131.14 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.1 t -117.61 136.63 54.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 4' ' ' ILE . 97.0 m-85 -117.03 107.56 14.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.0 131.78 12.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.875 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -137.65 146.63 44.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 1.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 11.53 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 2.4 t30 -141.84 20.63 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 1.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.875 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.96 135.5 6.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 1.0 111.038 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.59 141.58 47.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 1.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.4 HG11 HMD3 ' A' ' 103' ' ' HEM . 9.5 t -108.63 98.24 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 1.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 146.54 47.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.66 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 10.1 t80 -149.15 109.08 3.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.729 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.9 Cg_exo -63.29 90.29 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.365 3.377 . . . . 1.0 109.576 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -65.19 -54.13 34.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.642 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.8 tttt -63.09 -55.84 21.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 1.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.729 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -45.27 -49.68 12.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 22.2 m80 -63.13 -29.65 70.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 1.0 109.628 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.614 ' OE1' ' C4B' ' A' ' 101' ' ' HEM . 0.0 OUTLIER -70.41 -12.72 61.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 1.0 110.328 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 -24.43 14.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.15 -50.06 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.58 HG13 ' HD2' ' A' ' 25' ' ' PRO . 60.1 t -97.66 138.39 21.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.58 ' HD2' HG13 ' A' ' 24' ' ' VAL . 40.6 Cg_endo -85.93 -100.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.3 3.334 . . . . 1.0 109.612 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.491 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 14.5 t70 -41.36 131.95 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 109.296 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.584 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 77.0 m -90.79 -23.84 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 1.0 108.33 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -47.98 -24.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' CYS . 6.4 mmpt? -59.82 -33.71 72.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 1.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.86 -35.04 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 108.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -111.39 58.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 1.0 109.545 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -52.97 -40.75 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 1.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -94.21 42.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 1.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.85 161.68 5.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.519 1.137 . . . . 1.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.569 ' HB3' HMB3 ' A' ' 101' ' ' HEM . 10.9 Cg_endo -50.66 161.17 1.4 Allowed 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.325 3.35 . . . . 1.0 109.643 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.08 164.66 13.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 1.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.28 168.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 1.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.4 mt -114.7 99.58 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.56 53.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.26 35.2 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.115 . . . . 1.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 68.7 t80 -99.43 170.34 8.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 1.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 137.47 169.37 11.61 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.556 1.16 . . . . 1.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.652 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.42 -42.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 1.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -35.71 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 1.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.464 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.7 ttm -74.0 -48.04 33.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.17 -25.3 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 1.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.652 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 57.5 m170 -100.95 -57.55 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.94 -143.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 1.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 5.6 mttp -79.74 53.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 1.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.464 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.5 -62.16 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 1.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 m -120.28 -54.89 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.765 ' HE3' HMC2 ' A' ' 103' ' ' HEM . 0.2 OUTLIER -60.96 -25.05 66.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.42 -46.9 74.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 1.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.619 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 5.4 t -89.92 24.38 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.296 -1.001 . . . . 1.0 108.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.473 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 31.1 m170 -121.32 -69.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 1.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.8 mt-10 -50.28 -47.0 55.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.54 -43.32 1.84 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 1.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.18 -18.25 20.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER 69.96 51.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.71 129.49 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.18 178.09 17.13 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.529 1.143 . . . . 1.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 50.8 Cg_endo -66.94 94.38 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.328 3.352 . . . . 1.0 109.582 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -103.38 -14.33 16.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 1.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 164.08 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -79.2 -7.78 58.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.22 3.19 59.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 1.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -107.35 -45.68 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 1.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.427 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -85.01 -53.57 5.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 108.288 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.447 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 99.3 m-70 -87.62 79.82 8.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.603 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 71' ' ' LYS . 4.6 ttpt -118.21 -112.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' N ' ' HG2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 1.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.614 ' C4B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.66 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.765 HMC2 ' HE3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -23.55 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.414 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.9 t70 -62.3 -176.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.43 HG22 ' CE2' ' A' ' 6' ' ' PHE . 4.0 mt -154.65 130.29 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 1.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.499 HG12 ' OD1' ' A' ' 12' ' ' ASP . 15.7 t -115.63 137.1 50.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.43 ' CE2' HG22 ' A' ' 4' ' ' ILE . 94.8 m-85 -117.95 108.02 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -48.09 130.33 15.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.877 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -135.07 148.23 49.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 1.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.74 13.0 7.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.1 t30 -144.72 22.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 1.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.877 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.9 135.39 6.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 1.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.499 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -56.72 143.33 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.754 . . . . 1.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.411 HG11 HMD3 ' A' ' 103' ' ' HEM . 6.1 t -110.13 97.8 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.55 144.72 49.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.615 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 11.5 t80 -146.8 109.3 4.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 1.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.756 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 21.1 Cg_exo -64.1 86.73 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.347 3.365 . . . . 1.0 109.623 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -62.75 -54.17 43.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 1.0 109.583 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -62.18 -54.85 35.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 109.246 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.756 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -47.88 -44.96 29.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.422 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 20.2 m80 -68.58 -26.28 65.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 1.0 109.577 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.0 mm-40 -71.87 -12.71 61.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 1.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.16 -23.59 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.62 -49.89 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 1.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.465 HG13 ' HD2' ' A' ' 25' ' ' PRO . 66.3 t -102.98 134.62 19.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.481 ' HG2' ' H ' ' A' ' 26' ' ' ASP . 70.8 Cg_endo -82.69 -97.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.327 3.352 . . . . 1.0 109.566 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.481 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 19.1 t0 -41.13 122.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 1.0 109.28 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.577 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 78.4 m -86.66 -22.09 26.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 108.301 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -49.12 -24.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.18 -31.06 70.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 82.8 m -112.04 -36.27 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 108.271 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -111.97 62.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.627 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -58.4 -40.5 82.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.91 36.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.89 156.81 10.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.545 1.153 . . . . 1.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.507 ' HB3' HMB3 ' A' ' 101' ' ' HEM . 9.2 Cg_endo -49.89 163.44 0.53 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.271 3.314 . . . . 1.0 109.631 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.53 -155.46 17.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 1.0 111.029 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 170.11 13.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.84 101.05 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.92 51.63 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.23 35.0 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 1.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -98.66 169.82 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.733 . . . . 1.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.09 169.92 11.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 1.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.673 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.34 -42.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 1.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.6 mt-10 -35.87 -75.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 1.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.472 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.7 ttm -72.88 -47.69 43.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 1.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.25 -25.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.673 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.2 m170 -100.8 -57.25 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.85 -144.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 1.0 111.013 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 1.6 mtpp -79.07 53.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 1.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.42 -62.33 0.45 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 1.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 m -120.46 -53.32 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.276 -1.009 . . . . 1.0 108.276 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 9.9 mtmt -61.35 -26.14 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.86 -42.82 85.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 1.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.528 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 1.1 t -90.19 18.89 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.1 m170 -119.53 -70.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.593 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -48.9 -44.59 40.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.72 -43.94 4.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.56 -11.94 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 1.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp 65.42 45.93 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -147.53 125.79 12.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.18 178.21 17.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.453 1.096 . . . . 1.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 57.9 Cg_endo -67.46 98.28 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.281 3.32 . . . . 1.0 109.59 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 p -106.09 -14.79 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 110.42 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 164.79 12.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.51 -7.69 58.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.7 3.53 59.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 1.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -108.0 -42.79 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 1.0 110.319 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.432 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -87.83 -55.14 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 1.0 108.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.438 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 99.1 m-70 -85.73 79.65 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 1.0 109.609 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.39 -110.61 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 1.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.577 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.615 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.584 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.7 -28.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 1.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.487 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.6 t70 -71.23 -176.31 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.6 mt -157.18 134.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 1.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.491 HG11 ' OD1' ' A' ' 12' ' ' ASP . 6.7 t -118.57 138.39 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 4' ' ' ILE . 96.0 m-85 -120.13 109.35 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 1.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.09 129.09 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.826 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -135.09 146.06 48.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -86.66 13.56 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 2.3 m-20 -145.76 22.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.826 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.4 133.53 5.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 1.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.491 ' OD1' HG11 ' A' ' 5' ' ' VAL . 2.4 m-20 -54.9 139.45 40.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 1.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.66 ' O ' HG12 ' A' ' 13' ' ' VAL . 3.0 t -103.47 84.33 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 142.3 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CE1' ' C1B' ' A' ' 102' ' ' HEM . 50.9 t80 -148.2 117.81 4.19 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 94.0 Cg_endo -76.63 103.51 1.76 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.297 3.332 . . . . 1.0 109.612 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.419 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 50.8 t-80 -74.47 -53.28 9.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 109.626 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.9 ttmt -49.67 -39.72 37.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -62.54 -61.34 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.414 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 50.7 m80 -57.61 -16.31 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 6.5 mm100 -77.8 -14.62 59.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -35.82 4.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.49 -52.62 63.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 1.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.588 HG13 ' HD2' ' A' ' 25' ' ' PRO . 57.3 t -107.92 138.81 20.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 1.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.588 ' HD2' HG13 ' A' ' 24' ' ' VAL . 87.8 Cg_endo -81.91 -93.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.315 3.344 . . . . 1.0 109.608 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.526 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 28.9 t70 -41.96 126.22 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 1.0 109.284 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.584 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 66.7 m -90.15 -23.48 21.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 1.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -49.82 -21.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 1.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 27' ' ' CYS . 4.0 mmmp? -65.19 -29.49 70.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.2 m -113.63 -35.83 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 108.316 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 92.0 m-70 -112.86 70.71 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 1.0 109.577 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -39.88 92.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' NZ ' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -96.12 41.07 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 1.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' C ' ' HB3' ' A' ' 31' ' ' HIS . . . 74.88 150.4 2.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 1.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.619 ' HB3' HMB1 ' A' ' 101' ' ' HEM . 74.6 Cg_exo -45.34 160.31 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.299 3.333 . . . . 1.0 109.611 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.88 -164.12 18.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 1.0 111.023 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 159.33 32.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 1.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.3 mt -108.39 104.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.411 ' HG2' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -80.36 50.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.63 34.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 1.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -98.08 168.56 10.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 1.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 139.42 168.78 11.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 1.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.658 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -32.14 -40.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 1.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 3.4 mm-40 -36.95 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 1.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.468 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.5 ttm -76.8 -45.1 30.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.15 -24.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.658 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.8 m170 -102.16 -57.62 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 109.646 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.23 -146.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 1.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -78.91 52.84 1.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 1.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.97 -63.53 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 1.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.5 m -117.67 -51.97 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.549 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -64.12 -23.16 67.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.03 -49.66 56.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 1.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.647 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 6.0 t -87.87 24.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 28.4 m170 -120.58 -68.89 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.68 -45.59 70.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 1.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -40.83 -43.12 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.04 -13.97 18.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 1.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt 67.19 46.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.77 122.86 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 1.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.51 176.25 16.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 1.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.27 100.7 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.315 3.343 . . . . 1.0 109.626 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.2 p -111.05 -2.02 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 110.409 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' O ' HMC3 ' A' ' 103' ' ' HEM . 3.1 mmtp -108.38 164.55 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -8.9 59.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 1.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.23 4.19 58.53 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 1.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.49 -43.46 4.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 1.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.447 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -87.42 -54.25 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 108.278 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.459 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.5 m-70 -87.22 79.06 8.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 71' ' ' LYS . 33.0 tttt -166.52 73.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 1.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 1.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.935 HMB2 HBB2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.647 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.573 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.403 ' OD2' ' CE ' ' A' ' 14' ' ' LYS . 23.5 t0 -57.33 -176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 1.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.1 mt -153.4 131.68 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.613 HG12 ' OD1' ' A' ' 12' ' ' ASP . 18.3 t -114.71 136.62 50.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -117.19 103.12 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.35 121.47 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -123.86 151.42 43.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.2 12.79 9.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.5 t-20 -143.62 21.52 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 1.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.767 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.69 133.48 6.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 1.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.613 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -50.57 148.77 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 1.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.493 ' O ' HG12 ' A' ' 13' ' ' VAL . 5.2 t -117.78 92.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' CE ' ' OD2' ' A' ' 3' ' ' ASP . 2.2 mttp -66.26 141.09 58.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 4.4 t80 -145.02 107.96 4.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.725 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.6 Cg_exo -63.15 95.65 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.309 3.339 . . . . 1.0 109.602 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.461 ' CE1' HE21 ' A' ' 21' ' ' GLN . 36.9 t-80 -73.09 -58.19 3.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 1.0 109.611 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 24.0 tptt -58.82 -40.58 84.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -61.74 -50.7 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -64.92 -13.81 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 1.0 109.578 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.461 HE21 ' CE1' ' A' ' 17' ' ' HIS . 7.6 mm-40 -84.0 -13.41 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -22.52 12.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.28 -45.93 11.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.645 HG13 ' HD2' ' A' ' 25' ' ' PRO . 87.0 t -104.79 139.17 19.83 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.645 ' HD2' HG13 ' A' ' 24' ' ' VAL . 76.8 Cg_endo -83.09 -97.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.317 3.345 . . . . 1.0 109.587 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.485 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 13.0 t70 -44.58 130.12 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 109.293 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 75.2 m -91.82 -20.99 20.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 108.304 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -22.62 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -64.78 -25.63 68.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.7 m -114.75 -37.53 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.0 108.288 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.531 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 95.5 m-70 -111.18 73.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.0 109.568 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -36.28 83.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -100.03 41.13 1.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 1.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.43 150.01 1.93 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.531 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 76.8 Cg_exo -46.26 137.44 14.13 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.298 3.332 . . . . 1.0 109.612 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.06 -157.39 27.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 1.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 157.93 29.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 1.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.0 mt -115.24 89.53 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -66.89 99.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 1.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.28 -7.99 5.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 1.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 93.3 t80 -58.08 168.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 1.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.492 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 136.68 179.47 16.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 1.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.679 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.55 -38.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 1.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.37 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 1.0 110.282 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.471 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.2 ttm -75.58 -45.26 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 1.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -43.56 -26.82 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 1.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.679 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 51.9 m170 -100.44 -57.96 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.23 -142.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 1.0 111.051 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 13.8 ttmt -79.89 53.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 1.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.471 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.27 -63.31 0.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 1.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -120.87 -50.94 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 8.8 mtmt -63.73 -25.07 68.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 1.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.44 -44.81 82.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 1.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.1 t -89.91 21.54 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 35.7 m170 -120.18 -68.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.604 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.22 -45.45 61.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 1.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.11 -43.07 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -97.05 -16.53 20.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.06 49.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 128.84 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.97 176.78 17.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 1.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.484 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.3 Cg_endo -64.18 96.48 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.322 3.348 . . . . 1.0 109.624 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.1 p -105.13 -15.85 14.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 110.43 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.42 164.23 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 -6.96 58.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.48 0.69 61.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 1.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -104.32 -45.19 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 1.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.02 -53.5 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 1.0 108.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.2 m-70 -89.2 82.96 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 1.0 109.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.435 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.2 t70 -59.52 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 6.1 mt -154.98 134.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.741 HG12 ' OD2' ' A' ' 12' ' ' ASP . 4.3 t -118.86 131.66 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -112.66 105.95 14.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 111.034 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.8 130.81 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 1.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.867 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -133.15 150.95 52.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -86.32 13.02 8.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 5.6 m-20 -147.56 24.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.867 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.05 133.29 6.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 1.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.741 ' OD2' HG12 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -53.99 146.84 13.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 1.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 t -113.14 98.4 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 145.98 48.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 13.2 t80 -147.89 108.43 3.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 1.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.725 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 24.2 Cg_exo -62.29 85.15 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.31 3.34 . . . . 1.0 109.603 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -61.71 -52.47 64.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 1.0 109.632 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -63.84 -56.31 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.725 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -46.29 -47.22 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -65.04 -29.84 70.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -69.14 -13.13 62.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.93 -24.72 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.06 -49.64 6.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -94.52 124.19 56.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HG2' ' H ' ' A' ' 26' ' ' ASP . 72.3 Cg_endo -74.94 -95.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.367 3.378 . . . . 1.0 109.55 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 40.9 t0 -49.32 131.26 20.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 1.0 109.31 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 29' ' ' LYS . 73.6 m -89.28 -23.51 22.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.58 -23.92 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 27' ' ' CYS . 2.3 mmtt -61.0 -29.59 69.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.5 m -114.79 -36.82 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 108.32 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -109.18 62.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -41.4 88.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.58 37.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.63 157.2 8.88 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 1.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.3 163.04 0.69 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.343 3.362 . . . . 1.0 109.547 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.54 -173.81 15.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 1.0 111.005 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 162.44 19.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.5 mt -117.05 84.67 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 99.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 1.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.82 -11.88 4.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 1.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.49 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 89.4 t80 -56.69 171.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 1.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 135.82 -179.55 17.67 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.479 1.112 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.675 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.24 -38.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 1.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.4 mt-10 -37.28 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.471 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.8 ttm -76.26 -43.07 43.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.21 -25.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.675 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 50.9 m170 -102.57 -56.22 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.97 -143.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.15 . . . . 1.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -80.39 53.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 1.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.471 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.51 -64.1 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.118 . . . . 1.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.7 m -117.37 -52.49 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.305 -0.998 . . . . 1.0 108.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.468 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 11.7 mtmt -63.87 -23.38 67.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 1.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.56 -52.41 34.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 1.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 13.3 t -87.61 27.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.468 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 23.5 m170 -122.57 -68.16 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 109.642 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.17 -47.35 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 1.0 110.231 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.45 -32.6 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.0 mtp -97.93 -19.26 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.36 50.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -163.92 132.05 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.11 176.48 18.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.11 . . . . 1.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.409 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 58.9 Cg_endo -67.48 99.17 0.5 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.293 3.329 . . . . 1.0 109.632 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 p -108.54 -12.85 14.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 1.0 110.381 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 164.64 12.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 1.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -79.31 -6.51 56.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.97 4.57 56.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 1.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -108.94 -42.69 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 1.0 110.303 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.03 -54.36 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 1.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.7 m-70 -87.01 79.98 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.645 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 tttt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.0 109.305 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.418 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.0 t70 -63.02 -176.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 4.1 mt -154.97 133.23 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.759 HG12 ' OD1' ' A' ' 12' ' ' ASP . 5.5 t -118.25 136.84 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -117.79 108.01 14.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 1.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -47.6 128.26 12.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 1.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.867 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -130.9 149.91 52.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -85.83 12.81 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -146.49 23.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.867 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.98 133.84 6.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 1.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.759 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -53.4 145.42 14.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 1.0 109.267 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.475 ' O ' HG12 ' A' ' 13' ' ' VAL . 4.5 t -111.75 94.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 1.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 145.21 54.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.464 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 13.2 t80 -148.67 111.21 3.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.725 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 20.4 Cg_exo -64.25 93.41 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.28 3.32 . . . . 1.0 109.592 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -67.56 -53.64 26.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -64.89 -56.0 15.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.725 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -43.8 -49.16 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -62.78 -34.23 76.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 1.0 109.58 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.494 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -64.66 -11.53 36.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 1.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -103.42 -25.5 13.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 1.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.17 -49.58 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 1.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.504 HG13 ' HD2' ' A' ' 25' ' ' PRO . 59.1 t -102.67 136.15 19.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.504 ' HD2' HG13 ' A' ' 24' ' ' VAL . 60.8 Cg_endo -83.94 -98.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.32 3.346 . . . . 1.0 109.576 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.476 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 9.5 t70 -39.9 129.34 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 109.34 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.401 ' C ' ' N ' ' A' ' 29' ' ' LYS . 82.9 m -90.77 -22.36 21.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 108.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -23.59 1.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 1.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 27' ' ' CYS . 8.6 mmpt? -61.58 -30.0 70.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 1.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.8 m -113.39 -36.11 5.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 108.283 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 91.3 m-70 -112.32 68.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 1.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -40.69 87.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 1.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.69 40.89 1.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' C ' ' HB3' ' A' ' 31' ' ' HIS . . . 75.23 150.03 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 1.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.529 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 73.3 Cg_exo -45.29 156.3 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.283 3.322 . . . . 1.0 109.607 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.68 -155.97 21.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 1.0 110.998 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.68 163.2 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 1.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.5 mt -114.26 102.27 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 1.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -79.55 50.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 178.38 34.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 1.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -98.44 169.47 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 1.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.55 171.03 12.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 1.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.657 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.87 -41.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.765 . . . . 1.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.2 mm-40 -36.53 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.476 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.6 ttm -72.8 -46.73 51.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 1.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.88 -25.52 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.657 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.6 m170 -101.71 -57.17 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.46 -145.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -78.55 53.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 1.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -113.31 -64.34 0.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 1.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 m -117.62 -52.99 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 2.1 mtmt -62.19 -26.33 68.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.431 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.57 -43.04 87.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 1.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.81 18.93 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.247 -1.02 . . . . 1.0 108.247 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.5 m170 -119.73 -69.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.594 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.16 -46.04 61.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 1.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -51.91 -33.27 36.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 mtp -98.23 -15.33 19.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 64.03 50.83 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.33 130.9 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.46 176.99 18.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.61 99.15 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.322 3.348 . . . . 1.0 109.617 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 p -110.17 -3.02 16.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 110.358 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.44 164.89 11.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 1.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -80.19 -9.43 59.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 108.28 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.39 3.9 59.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 1.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.08 -44.75 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 1.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.17 -53.6 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 1.0 108.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -87.57 81.18 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.0 109.637 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -60.44 -176.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 6.4 mt -155.93 131.57 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.655 HG12 ' OD1' ' A' ' 12' ' ' ASP . 4.7 t -117.92 135.89 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -116.86 99.95 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 1.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 131.45 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.866 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -134.71 151.36 50.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.97 13.99 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.6 m-20 -148.25 23.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 1.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.866 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.49 133.21 5.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 1.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.655 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -58.51 141.47 51.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 1.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.1 t -105.76 102.33 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 1.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 143.0 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -144.63 107.68 4.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.774 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 23.7 Cg_exo -62.64 93.7 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.308 3.339 . . . . 1.0 109.62 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.46 ' CE1' HE21 ' A' ' 21' ' ' GLN . 31.9 t-80 -69.55 -56.87 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 1.0 109.62 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 9.1 tptm -58.35 -45.79 87.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -57.8 -49.86 75.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -65.83 -17.66 64.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.0 mm-40 -81.12 -12.09 59.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -22.54 12.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 1.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.28 -49.63 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.6 t -97.08 129.3 32.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 1.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.464 ' HG2' ' H ' ' A' ' 26' ' ' ASP . 90.5 Cg_endo -79.86 -96.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.309 3.339 . . . . 1.0 109.61 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.464 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 17.4 t70 -45.06 120.37 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.414 ' C ' ' N ' ' A' ' 29' ' ' LYS . 71.2 m -83.3 -23.41 32.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 1.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -48.09 -24.21 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 27' ' ' CYS . 13.1 mmtt -59.99 -33.2 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.2 m -111.83 -33.74 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -113.3 62.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -59.69 -40.34 87.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.44 34.73 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.73 162.79 25.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 1.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -53.14 160.97 3.89 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.338 . . . . 1.0 109.587 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.81 -163.4 17.45 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.14 . . . . 1.0 111.002 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 166.78 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 1.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.6 mt -119.27 93.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 1.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.2 103.06 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.62 -20.83 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 1.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 19.5 t80 -47.38 160.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 1.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.539 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 151.74 173.46 21.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 1.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.661 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.45 -42.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 1.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -37.37 -68.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 1.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.466 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -77.95 -46.68 20.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -48.13 -23.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 1.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.661 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.3 m170 -101.52 -54.39 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.59 -140.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 1.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.439 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.9 OUTLIER -83.6 49.35 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 1.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -107.49 -63.26 0.58 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.585 1.178 . . . . 1.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.1 m -117.74 -55.07 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.3 -22.25 64.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.07 -55.28 16.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 1.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 23.5 t -86.36 29.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.35 -0.982 . . . . 1.0 108.35 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 20.2 m170 -122.68 -68.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 1.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -52.91 -45.99 67.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -28.41 17.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 1.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mtp -99.7 -12.98 19.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm 59.21 52.02 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 1.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.33 129.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.82 175.17 15.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 1.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 57.2 Cg_endo -66.9 96.38 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.291 3.327 . . . . 1.0 109.546 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.9 p -106.13 -11.92 15.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 1.0 110.336 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -99.41 163.95 12.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -5.21 53.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 1.0 108.32 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.96 3.38 55.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.425 1.078 . . . . 1.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -108.71 -43.65 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 1.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.74 -52.5 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 108.299 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.8 m-70 -89.45 76.18 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.643 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.453 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.0 t70 -63.62 -177.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.534 HG22 ' CE2' ' A' ' 6' ' ' PHE . 4.1 mt -156.29 128.5 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.423 HG12 ' OD1' ' A' ' 12' ' ' ASP . 14.7 t -114.91 142.47 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.534 ' CE2' HG22 ' A' ' 4' ' ' ILE . 96.4 m-85 -122.93 103.23 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 1.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.93 125.91 4.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.876 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -127.89 152.28 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 1.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -87.4 14.64 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 5.3 m-20 -149.24 24.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.876 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.21 134.37 6.27 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 1.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.423 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.7 OUTLIER -55.55 143.32 30.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 1.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 t -109.44 105.66 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 145.55 37.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 1.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -148.48 106.31 3.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.745 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 24.8 Cg_exo -61.67 94.12 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.299 3.333 . . . . 1.0 109.604 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.452 ' CE1' HE21 ' A' ' 21' ' ' GLN . 32.9 t-80 -70.26 -57.13 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 109.605 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 36.3 tttm -58.82 -44.79 90.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -58.72 -47.89 83.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -67.45 -14.73 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 1.0 109.676 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.452 HE21 ' CE1' ' A' ' 17' ' ' HIS . 7.5 mm-40 -84.55 -12.25 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 1.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.9 -23.59 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.98 -48.16 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.555 HG13 ' HD2' ' A' ' 25' ' ' PRO . 64.3 t -99.83 137.16 20.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.555 ' HD2' HG13 ' A' ' 24' ' ' VAL . 67.7 Cg_endo -82.62 -98.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.291 3.327 . . . . 1.0 109.57 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.478 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 15.1 t0 -44.7 128.65 6.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 109.315 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.411 ' C ' ' N ' ' A' ' 29' ' ' LYS . 72.7 m -89.31 -22.2 22.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -48.9 -23.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 1.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 27' ' ' CYS . 4.5 mmtt -61.59 -33.01 73.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 1.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 98.0 m -110.54 -33.31 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 108.339 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -114.65 59.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -42.21 70.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 1.0 110.287 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.41 39.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.49 159.89 8.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 1.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -50.9 157.01 4.12 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 1.0 109.6 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.94 -164.97 20.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 1.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 163.98 26.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 mt -114.74 98.81 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -76.65 102.35 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 1.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.56 -13.09 5.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 21.9 t80 -53.51 158.82 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 1.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.51 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 153.49 168.34 17.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 1.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.642 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -30.92 -43.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 0.778 . . . . 1.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 19.6 mm-40 -35.96 -61.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 1.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.465 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 2.0 ttp -84.65 -44.79 13.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . . . -49.04 -22.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.642 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 45.6 m170 -103.08 -53.01 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 1.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.29 -138.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 1.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -85.23 48.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 1.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.465 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -106.67 -63.88 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.437 1.085 . . . . 1.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.4 m -117.25 -54.99 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -61.23 -21.54 63.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 1.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -68.59 -51.13 32.53 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.466 1.104 . . . . 1.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.2 t -88.0 25.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.269 -1.011 . . . . 1.0 108.269 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 27.6 m170 -121.31 -68.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.637 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.5 mt-10 -53.66 -45.76 70.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.74 -42.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -97.25 -17.36 19.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 1.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER 70.15 51.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -157.26 127.33 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.08 176.22 16.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.108 . . . . 1.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.431 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.7 Cg_endo -63.94 94.68 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.337 3.358 . . . . 1.0 109.598 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 p -105.65 -2.92 22.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 1.0 110.395 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -108.02 164.15 12.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -6.97 59.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.55 2.0 58.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 1.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -107.13 -44.65 4.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 0.757 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.31 -51.65 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 108.292 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.6 m-70 -90.64 79.34 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 109.595 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.303 -0.629 . . . . 1.0 109.303 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.98 -175.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.7 mt -152.26 133.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.493 HG12 ' OD2' ' A' ' 12' ' ' ASP . 7.1 t -118.3 136.35 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -117.06 101.16 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 1.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.83 126.44 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -137.65 146.28 43.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -83.88 10.28 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 24.3 t-20 -133.94 15.39 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.633 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.28 134.5 6.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 1.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.493 ' OD2' HG12 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -54.61 134.53 46.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 1.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 13' ' ' VAL . 4.9 t -100.99 86.96 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -62.36 138.91 58.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.459 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 12.4 t80 -140.95 110.45 6.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 1.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.759 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 19.5 Cg_exo -64.5 93.41 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.345 . . . . 1.0 109.622 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -68.25 -54.91 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.635 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -64.72 -53.48 46.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -46.26 -45.29 17.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' ND1' ' O ' ' A' ' 16' ' ' PRO . 16.5 m80 -66.86 -29.75 69.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.16 -13.15 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 1.0 110.273 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -101.27 -25.06 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 1.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.59 -48.61 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 25' ' ' PRO . 86.0 t -97.75 136.2 21.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 1.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 24' ' ' VAL . 53.8 Cg_endo -84.43 -98.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.314 3.343 . . . . 1.0 109.625 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.496 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 3.4 t70 -44.38 132.05 6.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.321 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.409 ' C ' ' N ' ' A' ' 29' ' ' LYS . 75.7 m -90.89 -23.51 20.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 108.292 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -48.28 -24.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' CYS . 6.0 mmtt -60.66 -31.82 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.4 m -111.55 -35.52 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 108.291 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -112.26 60.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -40.17 77.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.278 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -94.75 40.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 1.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.58 159.89 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 1.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -51.99 153.62 11.79 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.281 3.32 . . . . 1.0 109.619 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.14 178.06 15.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 1.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 167.34 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 1.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.4 mt -121.78 80.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.11 100.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 1.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.12 -19.53 3.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.558 1.162 . . . . 1.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 82.1 t80 -49.17 171.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 1.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 136.23 178.8 16.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 1.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.684 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.0 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 1.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.9 mm-40 -37.1 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.6 ttm -76.93 -43.4 35.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.51 -25.59 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 1.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.684 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 47.5 m170 -101.21 -57.23 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.21 -142.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 1.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -80.58 53.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 1.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.06 -62.65 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 1.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.0 m -120.17 -52.24 2.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -62.82 -25.48 68.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -65.78 -45.97 85.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 1.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 t -89.57 22.49 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.475 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 33.4 m170 -120.49 -68.64 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 1.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.25 -45.69 65.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 1.0 110.316 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.96 -43.01 2.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 1.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -97.93 -15.77 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.28 46.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 1.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -150.09 127.41 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.89 178.92 17.85 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.478 1.111 . . . . 1.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 65.1 Cg_endo -68.48 98.79 0.58 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.354 . . . . 1.0 109.613 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 p -106.33 -17.46 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 110.409 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.63 165.07 12.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 1.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.33 -7.81 58.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 1.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.36 2.4 59.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 1.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -106.27 -40.17 5.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 1.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 m -91.16 -56.25 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 108.342 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.3 m-70 -85.52 77.47 9.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.602 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 1.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.436 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 26.6 t0 -65.81 -176.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.436 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.0 mt -155.64 135.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.509 HG12 ' OD1' ' A' ' 12' ' ' ASP . 6.3 t -117.6 136.77 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' LYS . 71.2 m-85 -119.55 98.07 5.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 1.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' PHE . 6.8 mmtt -39.71 125.28 1.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.826 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -128.27 149.26 50.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -86.1 12.62 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.291 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.62 23.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.826 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.75 133.75 6.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 1.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.509 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -53.75 145.06 16.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 1.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.726 ' O ' HG12 ' A' ' 13' ' ' VAL . 8.7 t -108.35 72.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -49.55 136.1 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' HE1' ' CE1' ' A' ' 20' ' ' HIS . 34.4 t80 -144.6 118.19 5.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.66 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 89.6 Cg_endo -77.17 106.61 2.27 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.347 3.365 . . . . 1.0 109.58 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -75.66 -53.54 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 1.0 109.6 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 19.8 tttm -52.77 -57.41 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 1.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.66 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -40.7 -58.64 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.41 ' CE1' ' HE1' ' A' ' 15' ' ' PHE . 45.2 m80 -56.81 -35.15 68.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 10.9 mm-40 -65.73 -13.62 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 1.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.08 -10.26 13.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.64 -52.87 3.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 25' ' ' PRO . 91.9 t -101.14 139.12 20.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.634 ' HD2' HG13 ' A' ' 24' ' ' VAL . 88.1 Cg_endo -81.67 -94.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.329 3.353 . . . . 1.0 109.595 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.501 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 15.6 t70 -45.7 127.51 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.295 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.402 ' C ' ' N ' ' A' ' 29' ' ' LYS . 81.4 m -90.1 -21.89 22.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 1.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -50.14 -22.79 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 27' ' ' CYS . 12.9 mmtm -64.34 -29.01 70.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 92.6 m -112.38 -36.83 5.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 108.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.9 m-70 -112.45 71.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.617 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -60.99 -39.97 91.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 1.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -95.63 40.32 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 1.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.65 150.08 2.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 1.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.525 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 74.8 Cg_exo -45.5 147.66 2.62 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.304 3.336 . . . . 1.0 109.622 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.48 -157.35 26.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.13 . . . . 1.0 110.999 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 159.41 24.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 1.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -113.5 87.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 1.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 97.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.59 -8.91 4.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 1.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 91.7 t80 -55.96 168.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 1.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 140.22 176.08 14.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 1.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.679 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -33.64 -38.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 1.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.08 -73.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.481 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 6.2 ttm -80.16 -41.45 25.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.12 . . . . 1.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.25 -23.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.679 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 49.1 m170 -103.44 -57.65 2.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.602 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.1 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 1.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -78.76 53.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 1.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.481 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.53 -64.34 0.47 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 1.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 m -116.47 -51.17 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 1.1 mtmt -65.06 -22.79 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.416 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.97 -49.34 54.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 1.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.8 t -87.71 23.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 31.4 m170 -120.65 -68.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 1.0 109.609 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.48 -45.87 62.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -30.79 57.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 1.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.9 mtp -99.29 -9.39 23.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 1.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm 54.76 51.43 13.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 1.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.87 129.13 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 1.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.35 178.39 18.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 1.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.54 101.77 0.67 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.31 3.34 . . . . 1.0 109.636 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -112.21 -2.9 14.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 1.0 110.371 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -108.55 165.75 11.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 1.0 109.236 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -7.94 59.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 1.0 108.323 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.36 3.56 58.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 1.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -109.26 -42.86 4.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 1.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.86 -54.19 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 108.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -86.64 78.02 9.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 1.0 109.586 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.3 -176.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.557 HG22 ' CE2' ' A' ' 6' ' ' PHE . 3.7 mt -149.83 129.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 1.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 t -114.97 141.93 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.557 ' CE2' HG22 ' A' ' 4' ' ' ILE . 96.5 m-85 -122.88 108.08 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 1.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -48.96 123.81 7.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 1.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.873 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -125.32 152.49 44.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -87.76 14.96 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 1.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -150.09 25.77 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.873 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.99 133.49 6.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 1.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.51 141.27 37.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 t -106.75 99.84 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 144.61 48.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 11.8 t80 -147.51 109.03 3.86 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 1.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.776 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.9 Cg_exo -63.01 94.12 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.318 3.346 . . . . 1.0 109.599 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 30.1 t-80 -71.62 -58.33 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 1.0 109.598 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 16.2 tttt -57.6 -39.11 76.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.776 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -64.05 -54.3 36.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -61.91 -14.13 31.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.578 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 8.3 mm-40 -82.03 -13.35 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 1.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.21 -20.01 13.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.85 -46.08 9.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 1.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -110.34 102.76 52.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.04 -70.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.344 3.362 . . . . 1.0 109.574 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -60.9 125.67 24.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 1.0 109.369 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 29' ' ' LYS . 82.2 m -91.68 -23.4 19.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 108.365 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -50.18 -22.25 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -64.54 -28.45 69.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.7 m -114.35 -35.85 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 108.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 94.9 m-70 -112.26 70.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.63 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -62.73 -40.28 96.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.25 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 41.75 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 1.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.69 151.56 2.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 1.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.542 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 74.9 Cg_exo -46.94 154.91 0.97 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.314 3.343 . . . . 1.0 109.605 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.43 -167.65 22.97 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.509 1.131 . . . . 1.0 110.973 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 161.25 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 1.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.5 mt -117.23 95.89 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.14 104.85 3.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 110.332 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.45 -20.01 5.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 1.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 27.3 t80 -47.5 160.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 1.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 151.33 172.77 20.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 1.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.648 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.37 -42.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 1.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -36.78 -70.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 1.0 110.245 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.479 ' HG3' ' CA ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -75.87 -48.53 21.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 1.0 111.005 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.94 -25.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.648 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.8 m170 -100.55 -55.51 2.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 1.0 109.588 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.05 -139.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.142 . . . . 1.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.45 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 1.5 mttt -82.92 51.12 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 1.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.479 ' CA ' ' HG3' ' A' ' 45' ' ' MET . . . -109.65 -62.93 0.52 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 1.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -119.22 -54.97 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -61.09 -23.84 65.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.26 -49.93 48.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.6 t -88.52 25.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.251 -1.018 . . . . 1.0 108.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.473 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 28.2 m170 -121.63 -68.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 109.61 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.2 mt-10 -53.45 -45.79 69.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.42 -40.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -97.94 -17.62 19.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 1.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER 70.33 51.61 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 1.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.72 129.7 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.27 175.91 16.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 1.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.475 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.1 Cg_endo -64.96 96.4 0.26 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.308 3.338 . . . . 1.0 109.58 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.4 p -106.46 -11.46 15.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.71 163.73 12.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -6.05 57.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 108.273 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.79 2.61 58.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.166 . . . . 1.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -107.92 -46.42 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 1.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.63 -51.69 7.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 108.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -90.44 82.42 5.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 1.0 109.638 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 1.0 109.29 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.79 -176.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.5 mt -151.49 131.87 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.361 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -116.3 139.22 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 1.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -118.29 96.41 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -41.85 122.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -129.06 146.76 50.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 1.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.1 10.6 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.99 17.45 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 1.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.831 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 115.98 135.15 5.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.84 136.08 57.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 t -103.63 98.75 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 1.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.07 142.42 50.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 8.7 t80 -145.33 108.75 4.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.787 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 18.1 Cg_exo -64.91 94.34 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.329 3.353 . . . . 1.0 109.618 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.466 ' CE1' HE21 ' A' ' 21' ' ' GLN . 39.3 t-80 -72.0 -58.26 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 1.0 109.596 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.0 tptt -58.55 -39.11 79.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.787 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -63.34 -51.71 64.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -64.5 -12.61 45.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 1.0 109.631 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 7.7 mm-40 -83.64 -13.79 53.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 1.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.06 -20.36 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.03 -44.52 10.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 1.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 26' ' ' ASP . 84.0 t -110.59 102.77 52.89 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 1.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.76 -70.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.314 3.343 . . . . 1.0 109.593 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.406 ' O ' HG12 ' A' ' 24' ' ' VAL . 22.2 t0 -60.55 126.81 28.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 1.0 109.269 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.1 m -93.79 -23.0 18.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 108.307 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -50.24 -22.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 1.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -66.22 -26.52 67.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.0 m -114.04 -37.23 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 1.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.409 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.6 m-70 -112.6 58.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -57.21 -42.11 80.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 1.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -92.02 38.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 1.0 109.304 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.9 155.17 8.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 1.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 9.8 Cg_endo -50.94 158.69 2.92 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.301 3.334 . . . . 1.0 109.574 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.44 -164.61 17.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 1.0 111.037 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.74 166.61 23.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 1.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mt -121.06 79.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.18 102.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.7 -16.78 4.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 1.0 111.017 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.453 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 94.6 t80 -50.5 169.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 0.796 . . . . 1.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 135.62 177.7 15.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 1.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.673 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.3 -38.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 1.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.49 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 1.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.475 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 6.8 ttm -78.5 -43.88 25.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 1.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.56 -25.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.673 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.2 m170 -101.16 -57.89 2.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.615 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.26 -143.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 1.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -79.92 53.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.59 -64.12 0.49 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 1.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.2 m -120.22 -50.28 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -63.67 -26.62 68.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 1.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -65.25 -41.94 96.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 1.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.7 t -91.08 20.91 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.432 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 33.2 m170 -119.41 -68.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.33 -45.5 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 1.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.57 -42.39 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 1.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mtt -97.74 -16.52 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.31 48.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 1.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -154.1 131.11 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 1.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.34 176.82 18.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.551 1.157 . . . . 1.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.481 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.7 Cg_endo -64.69 101.03 0.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.323 3.349 . . . . 1.0 109.588 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -109.18 -14.18 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.41 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.13 164.25 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -7.71 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 108.349 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.53 -0.89 64.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 1.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.481 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -102.89 -46.66 4.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 1.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 m -85.51 -53.0 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -90.79 78.69 6.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 1.0 109.552 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.298 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.94 -176.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 mt -149.26 134.09 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 1.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.622 HG12 ' OD1' ' A' ' 12' ' ' ASP . 11.7 t -116.94 138.53 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 1.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.78 99.41 6.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -43.36 131.65 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -140.37 149.6 42.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 1.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -85.29 12.39 8.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.9 t30 -138.96 18.75 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.645 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.82 132.87 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 1.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.622 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -55.43 136.34 49.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 1.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 t -102.96 98.77 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.51 144.42 49.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.448 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 14.5 t80 -146.85 109.97 4.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.774 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.4 Cg_exo -63.26 96.57 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.293 3.329 . . . . 1.0 109.623 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 28.8 t-80 -72.91 -58.62 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 109.609 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 4.9 tttt -58.24 -40.58 82.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 1.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -61.79 -51.83 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -64.43 -12.42 43.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 1.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 7.6 mm-40 -85.39 -10.92 55.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 1.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.47 -20.43 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.83 -48.96 7.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 1.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.82 101.11 50.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -55.28 -70.32 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.383 3.389 . . . . 1.0 109.59 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -55.51 122.49 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.8 m -91.52 -22.66 20.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 1.0 108.29 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -50.46 -22.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 1.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -65.62 -25.86 67.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.6 m -116.11 -37.64 3.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 1.0 108.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 91.0 m-70 -112.21 73.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 1.0 109.616 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -42.84 99.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 40.05 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.24 150.89 3.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 1.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 76.3 Cg_exo -46.12 143.02 7.92 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.308 3.339 . . . . 1.0 109.597 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.85 -156.81 27.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 1.0 111.021 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 165.6 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 1.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.3 mt -121.61 91.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.76 98.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 1.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.62 -11.49 4.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 1.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.464 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 94.2 t80 -54.57 169.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 1.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 137.12 179.31 16.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 1.0 111.041 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.677 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -33.7 -38.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 1.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.3 tt0 -37.4 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.478 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.0 ttm -77.57 -43.21 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 1.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.35 -25.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.677 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 49.5 m170 -102.08 -57.22 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 109.557 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.79 -145.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 1.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -78.84 53.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.777 . . . . 1.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.478 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.37 -64.31 0.47 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 1.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.7 m -118.28 -51.63 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.89 -25.85 68.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 1.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -68.07 -41.56 86.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 1.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 t -91.0 19.06 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' LYS . 41.7 m170 -119.6 -69.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 1.0 109.603 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -49.94 -46.91 52.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 110.351 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -53.11 -31.55 42.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 1.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 mtp -97.01 -18.66 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 66.85 50.75 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 1.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.47 130.47 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.67 174.28 16.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 1.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 44.8 Cg_endo -65.86 96.96 0.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.305 3.337 . . . . 1.0 109.62 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.7 p -104.3 -20.59 13.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 1.0 110.429 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -89.9 164.77 14.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 1.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -9.34 59.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.32 2.17 62.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 1.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -104.63 -43.37 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 1.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 m -88.5 -53.83 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 1.0 108.275 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.7 m-70 -87.75 82.39 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 1.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -64.5 -176.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 1.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.497 HG22 ' CE2' ' A' ' 6' ' ' PHE . 3.5 mt -153.96 125.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 1.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.634 HG12 ' OD1' ' A' ' 12' ' ' ASP . 6.6 t -114.62 138.14 45.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.506 1.129 . . . . 1.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CE2' HG22 ' A' ' 4' ' ' ILE . 97.2 m-85 -118.53 99.73 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.31 128.7 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.875 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -132.05 151.37 51.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -86.63 14.02 7.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 1.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -148.32 24.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.875 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.36 133.51 6.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 1.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.634 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -57.82 138.79 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 1.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 t -102.83 99.52 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 1.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 144.28 48.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -146.45 109.08 4.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 1.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.762 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 23.4 Cg_exo -62.86 94.05 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.353 3.369 . . . . 1.0 109.557 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.469 ' CE1' HE21 ' A' ' 21' ' ' GLN . 31.0 t-80 -71.34 -58.4 3.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 1.0 109.63 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.0 ttpp -57.24 -39.62 75.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -64.12 -53.54 47.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 1.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -62.35 -15.77 50.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 1.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.469 HE21 ' CE1' ' A' ' 17' ' ' HIS . 8.7 mm-40 -80.08 -11.93 59.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 110.298 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.22 -34.35 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.63 -51.25 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.579 HG13 ' HD2' ' A' ' 25' ' ' PRO . 61.5 t -98.33 138.22 20.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.579 ' HD2' HG13 ' A' ' 24' ' ' VAL . 64.8 Cg_endo -82.82 -98.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.361 3.374 . . . . 1.0 109.614 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.474 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 18.4 t0 -44.34 127.98 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.414 ' C ' ' N ' ' A' ' 29' ' ' LYS . 71.2 m -87.24 -22.86 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 1.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -48.4 -23.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 1.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 27' ' ' CYS . 9.6 mmpt? -60.34 -32.88 71.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.3 m -111.64 -34.09 6.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 108.31 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -112.8 57.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.602 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -41.49 69.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.66 38.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.75 160.94 9.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.148 . . . . 1.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -52.51 160.74 3.38 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.263 3.309 . . . . 1.0 109.609 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.49 -165.49 16.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 1.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 162.33 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 1.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.3 mt -114.8 84.45 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.78 103.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 1.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.05 -10.72 5.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.15 . . . . 1.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 48.1 t80 -57.3 163.41 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.766 . . . . 1.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 147.19 172.23 17.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 1.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.656 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 1.8 ptpt -31.24 -42.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 1.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.2 mt-10 -36.89 -68.01 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.47 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.8 OUTLIER -78.85 -47.33 16.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 1.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.91 -24.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.656 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.8 m170 -101.22 -54.52 2.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.58 -138.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 1.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -84.49 49.84 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 1.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -108.63 -61.41 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 1.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 m -119.7 -55.74 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -60.94 -21.92 63.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' O ' ' OE2' ' A' ' 57' ' ' GLU . . . -67.47 -52.6 29.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 1.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 11.1 t -87.73 27.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 23.9 m170 -122.69 -67.98 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.592 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' LYS . 7.5 mt-10 -54.69 -48.22 72.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -41.68 -39.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 1.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -97.19 -18.53 19.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLU . 21.2 mmtt 69.03 51.24 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.84 124.45 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.83 174.95 14.8 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 1.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.456 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.6 Cg_endo -64.45 95.82 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.294 3.329 . . . . 1.0 109.563 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 p -106.69 0.6 24.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 110.412 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -110.37 164.95 12.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 1.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -7.81 59.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 1.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.74 3.27 58.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 1.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -109.62 -43.27 4.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 1.0 110.325 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.87 -52.69 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 108.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -88.86 81.39 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.623 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 109.282 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.82 -176.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.5 mt -152.21 133.3 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.533 HG12 ' OD2' ' A' ' 12' ' ' ASP . 8.9 t -120.17 136.83 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -116.33 98.67 6.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.04 124.5 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -130.65 147.05 52.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 1.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -84.58 11.11 9.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.1 t-20 -140.5 19.05 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.882 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 116.71 134.59 5.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 1.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.533 ' OD2' HG12 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -61.52 135.09 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.753 . . . . 1.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 t -103.08 103.12 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 147.44 40.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 4.7 t80 -150.42 108.19 3.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.813 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 17.8 Cg_exo -65.26 97.3 0.3 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.31 3.34 . . . . 1.0 109.61 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.46 ' CE1' HE21 ' A' ' 21' ' ' GLN . 36.6 t-80 -71.69 -58.22 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 109.627 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.6 tptt -59.06 -44.9 91.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.813 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -57.46 -46.16 83.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 1.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -69.92 -13.5 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.612 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 7.7 mm-40 -83.97 -12.02 55.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 -19.73 13.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 1.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.14 -47.22 8.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.9 t -109.73 103.54 53.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 1.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -56.4 -70.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.306 3.337 . . . . 1.0 109.631 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.72 126.85 28.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 1.0 109.315 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.405 ' C ' ' N ' ' A' ' 29' ' ' LYS . 70.1 m -93.21 -22.49 19.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -49.55 -23.11 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' CYS . 1.5 mmtp -64.57 -27.95 69.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.5 m -113.83 -36.75 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 108.323 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -113.72 64.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.586 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -36.49 80.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 1.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 24.05 3.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.35 156.59 32.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 1.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -51.74 153.1 11.9 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.293 3.329 . . . . 1.0 109.624 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.19 -173.13 17.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 1.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 169.35 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.774 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.6 mt -121.02 88.88 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.76 100.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.38 -12.19 4.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 1.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 89.1 t80 -54.13 168.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 1.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.23 176.6 14.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 1.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.672 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.08 -39.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 1.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.5 tt0 -37.37 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 1.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.8 ttm -76.87 -43.43 36.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.03 -24.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.672 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.3 m170 -102.76 -56.66 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 1.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.9 -143.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 1.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 9.8 mttp -80.15 53.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.96 -64.18 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 1.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.9 m -118.51 -51.63 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.353 -0.98 . . . . 1.0 108.353 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -62.46 -27.38 69.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 1.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.54 -42.91 93.3 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.112 . . . . 1.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 t -89.63 18.89 5.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 40.9 m170 -119.54 -69.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 1.0 109.612 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -51.63 -44.52 62.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 1.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.55 -43.11 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -99.61 -13.82 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp 67.56 47.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 1.0 109.247 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -151.54 124.72 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.44 176.85 16.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.415 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.7 Cg_endo -64.17 99.56 0.29 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.328 3.352 . . . . 1.0 109.58 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.8 p -109.6 -5.6 15.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 1.0 110.366 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -106.49 165.99 10.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -7.88 59.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 1.0 108.286 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.32 1.17 60.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 1.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -105.9 -44.79 4.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 1.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.4 m -87.04 -54.11 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 1.0 108.235 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.9 m-70 -87.53 71.71 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.16 -176.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.0 mt -153.11 133.04 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.7 HG12 ' OD1' ' A' ' 12' ' ' ASP . 4.0 t -119.28 137.26 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -118.3 105.35 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.6 131.59 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.853 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -136.4 150.65 48.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 1.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -86.15 12.85 8.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.49 ' OD1' ' HB1' ' A' ' 8' ' ' ALA . 2.7 p30 -146.16 23.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.853 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.82 134.09 6.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 1.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.7 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -56.88 137.96 54.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 1.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.4 t -102.02 102.02 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 145.08 43.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -146.61 108.89 4.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 1.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.745 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 23.2 Cg_exo -63.03 96.42 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.318 3.346 . . . . 1.0 109.623 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -73.48 -56.49 4.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 109.594 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -60.86 -41.7 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -60.08 -54.93 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -58.35 -23.44 56.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 1.0 109.594 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -74.15 -12.09 60.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.34 -24.07 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.54 -49.33 6.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 25' ' ' PRO . 64.1 t -97.52 138.55 21.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 1.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.603 ' HD2' HG13 ' A' ' 24' ' ' VAL . 40.3 Cg_endo -85.67 -101.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.339 3.359 . . . . 1.0 109.64 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.49 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 3.6 t70 -41.7 133.06 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 1.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 29' ' ' LYS . 71.5 m -91.63 -25.36 19.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 108.258 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.2 -24.76 0.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 27' ' ' CYS . 20.9 mmtt -59.29 -33.37 71.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 1.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 84.6 m -111.76 -33.45 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 1.0 108.306 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -112.73 63.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.557 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -59.68 -40.43 87.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 35.64 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.26 160.17 14.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 1.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.76 162.28 1.07 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.314 3.343 . . . . 1.0 109.589 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.78 -160.49 17.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.445 1.091 . . . . 1.0 110.972 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.58 165.09 21.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.9 mt -117.22 86.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.56 99.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.88 -12.93 4.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 1.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 35.8 t80 -54.93 161.04 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 0.728 . . . . 1.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 150.87 171.03 18.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 1.0 110.971 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.654 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.51 -42.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 1.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.2 mm-40 -36.63 -64.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 1.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.468 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 1.2 ttp -82.83 -44.31 15.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . . . -49.05 -23.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 1.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.654 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 46.5 m170 -102.93 -52.65 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 1.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.29 -138.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 1.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 2.9 ttmm -85.99 48.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 1.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -106.88 -62.8 0.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 1.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.7 m -116.88 -56.08 2.3 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.304 -0.998 . . . . 1.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.465 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -61.5 -20.61 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.16 -57.32 10.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 1.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.2 t -85.82 30.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.465 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 20.3 m170 -123.27 -67.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 109.555 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -54.49 -47.54 72.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -46.59 -30.63 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.9 mtp -99.47 -20.08 16.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? 69.12 50.64 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -164.61 134.96 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.4 175.69 18.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.515 1.134 . . . . 1.0 111.052 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -65.85 98.11 0.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.336 3.357 . . . . 1.0 109.587 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 p -109.11 -9.53 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.424 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.7 163.26 12.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 1.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.94 -4.51 50.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 1.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -103.06 5.19 49.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 1.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.63 -43.75 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 1.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.32 -52.18 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 108.317 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.453 ' ND1' ' OD1' ' A' ' 10' ' ' ASN . 98.3 m-70 -89.69 82.49 6.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.48 -176.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.479 HG22 ' CE2' ' A' ' 6' ' ' PHE . 3.7 mt -154.19 131.81 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 1.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.479 HG12 ' OD1' ' A' ' 12' ' ' ASP . 19.6 t -115.29 142.11 29.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.479 ' CE2' HG22 ' A' ' 4' ' ' ILE . 92.6 m-85 -122.67 97.62 5.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -40.17 122.89 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 1.0 109.237 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -126.6 151.99 47.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 1.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -86.71 13.9 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.229 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -145.96 23.46 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.785 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 110.73 134.12 6.57 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.118 . . . . 1.0 111.045 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.479 ' OD1' HG12 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -51.91 140.9 18.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 1.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 13' ' ' VAL . 3.1 t -106.72 93.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 142.1 57.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.457 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 10.2 t80 -146.55 110.5 4.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.775 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 19.2 Cg_exo -64.72 94.13 0.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.306 3.337 . . . . 1.0 109.601 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.453 ' CE1' HE21 ' A' ' 21' ' ' GLN . 35.1 t-80 -71.55 -57.95 3.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.616 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -58.75 -40.56 84.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.243 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.775 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -62.02 -51.15 69.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -64.49 -13.72 53.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 1.0 109.56 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 7.8 mm-40 -84.27 -12.27 54.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 1.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -21.46 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.87 -46.23 11.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 1.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.638 HG13 ' HD2' ' A' ' 25' ' ' PRO . 91.4 t -108.71 138.72 20.36 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.638 ' HD2' HG13 ' A' ' 24' ' ' VAL . 67.0 Cg_endo -82.72 -98.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.375 3.384 . . . . 1.0 109.601 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.483 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 26.7 t70 -39.6 126.79 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.9 m -91.03 -21.13 21.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 108.317 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -50.75 -24.47 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 1.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -62.98 -25.63 68.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 84.7 m -114.88 -38.26 3.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 108.306 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.532 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 95.6 m-70 -110.94 73.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -37.81 88.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.1 40.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.04 150.05 2.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 1.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.532 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 77.3 Cg_exo -46.2 134.79 15.29 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.29 3.327 . . . . 1.0 109.564 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.4 -173.98 25.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 1.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 156.13 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -112.67 98.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 1.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.86 101.12 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.69 -3.3 6.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 1.0 111.039 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -61.92 166.81 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 1.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 141.35 172.57 13.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 1.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.69 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.33 -42.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 1.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' GLY . 14.4 mt-10 -37.25 -73.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 1.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.489 ' HG3' ' CA ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -71.91 -50.68 27.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.986 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.97 -27.16 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.69 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.4 m170 -99.74 -57.04 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 1.0 109.586 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.23 -143.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.551 1.157 . . . . 1.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -79.6 53.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 0.719 . . . . 1.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.489 ' CA ' ' HG3' ' A' ' 45' ' ' MET . . . -112.0 -63.65 0.48 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 1.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.6 m -119.25 -50.81 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 1.3 mttp -63.24 -26.21 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.6 -43.95 83.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -89.47 19.14 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.28 -1.007 . . . . 1.0 108.28 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 40.5 m170 -119.75 -68.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.624 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -49.53 -44.77 46.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -42.8 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 1.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mtt -97.93 -15.89 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 1.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.2 49.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.69 130.44 10.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.2 176.92 17.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.479 1.112 . . . . 1.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 35.7 Cg_endo -64.33 99.69 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 124.331 3.354 . . . . 1.0 109.562 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -108.9 -10.37 15.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 1.0 110.419 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -100.3 163.23 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -5.6 54.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 1.0 108.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.45 1.35 58.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 1.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -105.5 -45.09 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 1.0 110.287 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.81 -53.45 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 108.309 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -89.07 79.6 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 1.0 109.567 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 109.259 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.259 -0.645 . . . . 1.0 109.259 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.06 -176.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.431 HG22 ' CE2' ' A' ' 6' ' ' PHE . 4.6 mt -153.83 131.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.418 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 21.9 t -115.14 139.64 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.431 ' CE2' HG22 ' A' ' 4' ' ' ILE . 92.2 m-85 -120.18 106.44 11.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 1.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -46.3 128.77 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 1.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -131.2 146.82 52.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 1.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.04 10.93 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -143.87 21.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.828 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.69 131.85 5.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.147 . . . . 1.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.418 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -49.54 149.7 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 1.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 13' ' ' VAL . 3.9 t -116.39 90.39 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 142.9 58.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 8.9 t80 -147.76 108.69 3.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 1.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.763 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.2 Cg_exo -63.42 93.21 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.267 3.311 . . . . 1.0 109.616 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 32.6 t-80 -70.5 -57.87 4.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.611 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -58.56 -41.26 85.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 1.0 109.344 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -61.79 -50.69 71.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 1.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -65.03 -14.28 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 1.0 109.61 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 7.8 mm-40 -82.95 -12.43 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 1.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.94 -21.56 12.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 1.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.4 -46.74 9.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 1.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.2 t -111.65 101.55 51.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.12 -70.48 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.346 . . . . 1.0 109.608 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -57.11 125.01 20.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 82.0 m -92.75 -24.55 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 108.325 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -49.84 -23.33 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 1.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -26.82 68.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 1.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 91.9 m -114.66 -37.94 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 108.257 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -109.74 66.01 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 1.0 109.615 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -40.28 94.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -94.89 38.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 1.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.19 164.75 22.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 1.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -54.88 161.45 6.28 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.285 3.323 . . . . 1.0 109.6 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.52 -171.86 14.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 1.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 164.12 20.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 mt -114.56 87.14 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 1.0 109.256 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.17 100.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.69 -5.44 5.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.437 1.086 . . . . 1.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.78 168.86 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.06 175.77 14.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 1.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.676 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -32.83 -39.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 1.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -36.57 -77.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.467 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.1 ttm -73.89 -47.32 38.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 1.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -43.51 -26.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 1.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.676 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.9 m170 -99.95 -57.79 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 109.631 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.14 -142.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 1.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 4.3 mmtt -79.77 53.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 1.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.24 -62.78 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 1.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 m -121.28 -52.75 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 11.5 mtmt -61.24 -28.12 68.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 1.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.87 -42.03 93.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 1.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.21 18.44 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.5 m170 -119.75 -69.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 1.0 109.575 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -50.63 -43.92 57.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -43.93 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.61 -13.28 19.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 67.16 47.82 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -150.56 123.78 8.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.07 177.31 16.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 1.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.17 100.76 0.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.308 3.338 . . . . 1.0 109.607 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 p -109.81 -7.17 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.388 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -102.97 164.45 11.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -9.23 59.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 108.308 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.86 1.05 61.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 1.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -43.18 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 1.0 110.364 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.4 -54.43 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 1.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -87.11 75.18 9.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.605 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 1.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -61.84 -177.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 1.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 7.8 mt -157.44 133.53 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 t -118.58 135.6 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -116.83 103.14 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 1.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -44.96 129.89 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 1.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -138.09 149.73 46.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -85.54 13.1 7.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -140.5 20.14 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.653 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 110.1 134.02 6.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.127 . . . . 1.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.2 138.16 32.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 1.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.553 ' O ' HG12 ' A' ' 13' ' ' VAL . 4.0 t -104.41 90.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 1.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 142.27 58.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 13.6 t80 -143.4 112.58 5.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 1.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.763 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 19.0 Cg_exo -64.59 96.0 0.24 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.292 3.328 . . . . 1.0 109.626 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -70.24 -55.44 9.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.61 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.2 ttmm -62.72 -51.1 68.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 1.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.67 -44.41 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -70.26 -21.33 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.596 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.2 mm-40 -76.39 -12.7 60.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -104.35 -28.56 11.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.22 -48.98 11.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.494 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.4 t -103.64 135.34 19.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.494 ' HD2' HG13 ' A' ' 24' ' ' VAL . 69.5 Cg_endo -82.85 -97.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.37 3.38 . . . . 1.0 109.584 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.485 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 20.8 t0 -42.88 124.44 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.268 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.1 m -85.84 -21.22 28.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 1.0 108.313 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -50.22 -22.83 1.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 1.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -63.26 -28.84 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.8 m -113.25 -36.48 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.538 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.2 m-70 -112.58 70.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 109.561 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.28 96.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.68 40.3 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.95 150.61 2.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 1.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.538 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 75.6 Cg_exo -46.05 149.47 2.32 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.335 3.357 . . . . 1.0 109.604 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.67 -157.38 25.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 1.0 111.037 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.37 162.8 24.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 1.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.83 86.8 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.14 102.02 0.77 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 1.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.54 -10.05 5.82 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.539 1.149 . . . . 1.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 37.2 t80 -55.36 161.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 1.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 149.42 172.08 18.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 1.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.642 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 1.4 ptpt -31.22 -42.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 1.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' GLY . 23.8 mt-10 -37.09 -69.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.464 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.5 OUTLIER -76.91 -47.39 21.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 111.022 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.73 -23.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.642 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 56.8 m170 -101.92 -55.28 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 109.619 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.61 -142.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 1.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 6.8 pttp -82.16 50.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 1.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -109.32 -63.2 0.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 1.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 m -117.44 -57.36 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -59.7 -23.42 63.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.462 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.45 -48.38 57.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 1.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.14 23.35 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 34.0 m170 -120.76 -68.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -52.7 -45.71 67.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 1.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.38 -42.73 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 1.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.09 -15.66 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 1.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.95 47.1 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.3 126.21 10.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 1.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.82 178.84 17.37 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 1.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.427 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 60.8 Cg_endo -67.69 100.34 0.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.283 3.322 . . . . 1.0 109.613 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -109.92 -9.84 14.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 110.373 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.68 163.34 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -5.33 52.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 108.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.97 3.73 55.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.157 . . . . 1.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -108.64 -45.57 3.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 1.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.09 -52.1 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 108.291 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -90.36 84.23 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 109.57 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.267 -0.642 . . . . 1.0 109.267 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.444 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -64.32 -176.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.8 mt -155.62 132.14 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 t -116.32 139.5 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -119.39 105.06 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.26 127.91 11.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -135.64 145.37 46.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.33 9.61 10.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 11.3 t30 -136.1 15.95 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.806 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 116.4 134.62 5.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 1.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.97 139.08 47.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 1.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 t -108.6 99.72 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 1.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 147.49 43.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -149.86 108.23 3.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.753 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 19.5 Cg_exo -64.57 99.75 0.32 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.308 3.339 . . . . 1.0 109.575 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -72.39 -54.55 9.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 1.0 109.604 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.8 ttpt -65.48 -52.59 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.753 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -46.33 -45.25 17.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.469 ' ND1' ' O ' ' A' ' 16' ' ' PRO . 18.5 m80 -67.18 -28.14 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 9.3 mm-40 -68.9 -12.06 61.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 1.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.46 -30.67 9.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.37 -46.73 13.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 1.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.621 HG13 ' HD2' ' A' ' 25' ' ' PRO . 99.1 t -102.86 138.97 19.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.621 ' HD2' HG13 ' A' ' 24' ' ' VAL . 37.4 Cg_endo -86.21 -101.63 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.319 3.346 . . . . 1.0 109.628 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.482 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 14.8 t70 -41.17 131.34 2.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.8 m -91.97 -23.12 19.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 108.322 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -49.14 -24.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' CE ' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -61.45 -31.82 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.3 m -108.36 -36.31 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 108.323 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -113.15 61.12 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 1.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -41.8 93.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 34.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.44 159.84 26.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 1.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -53.49 153.71 17.3 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.271 3.314 . . . . 1.0 109.566 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.86 -178.71 16.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 1.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 174.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 1.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -126.15 92.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.25 102.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.46 -7.79 5.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.142 . . . . 1.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.414 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 86.6 t80 -57.57 167.4 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 1.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 139.33 175.21 13.98 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.453 1.096 . . . . 1.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.694 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.32 -39.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 1.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -36.95 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.471 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.1 ttm -75.72 -46.8 29.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.85 -27.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.694 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 53.0 m170 -98.88 -59.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 109.556 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.33 -141.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.143 . . . . 1.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -79.51 53.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 1.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.471 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -113.01 -61.53 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 1.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 33.5 m -122.69 -53.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -30.58 69.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 1.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -64.88 -40.03 96.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 1.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.63 18.72 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.287 -1.005 . . . . 1.0 108.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -119.67 -69.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -49.29 -42.36 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.97 -46.88 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 1.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -10.17 25.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 1.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp 63.37 45.94 4.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.248 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -146.18 126.38 13.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 1.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.02 179.49 17.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 1.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.448 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 47.6 Cg_endo -66.52 104.16 0.75 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.306 3.337 . . . . 1.0 109.545 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.7 p -111.59 -2.83 15.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 110.421 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -107.51 164.84 11.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 1.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -8.99 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 108.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.16 -0.13 63.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 2.5 tp10 -103.38 -43.37 5.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 1.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -87.94 -54.03 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 108.294 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.4 m-70 -88.52 73.91 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 1.0 109.587 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.5 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.3 t70 -64.7 -176.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 3.5 mt -154.74 131.14 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.1 t -117.61 136.63 54.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 4' ' ' ILE . 97.0 m-85 -117.03 107.56 14.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.0 131.78 12.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.875 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -137.65 146.63 44.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 1.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 11.53 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 2.4 t30 -141.84 20.63 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 1.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.875 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.96 135.5 6.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 1.0 111.038 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.59 141.58 47.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 1.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 t -108.63 98.24 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 1.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 146.54 47.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 10.1 t80 -149.15 109.08 3.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.729 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.9 Cg_exo -63.29 90.29 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.365 3.377 . . . . 1.0 109.576 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -65.19 -54.13 34.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.642 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.8 tttt -63.09 -55.84 21.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 1.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.729 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -45.27 -49.68 12.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -63.13 -29.65 70.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 1.0 109.628 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.506 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.41 -12.72 61.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 1.0 110.328 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 -24.43 14.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.15 -50.06 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.58 HG13 ' HD2' ' A' ' 25' ' ' PRO . 60.1 t -97.66 138.39 21.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.58 ' HD2' HG13 ' A' ' 24' ' ' VAL . 40.6 Cg_endo -85.93 -100.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.3 3.334 . . . . 1.0 109.612 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.491 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 14.5 t70 -41.36 131.95 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 109.296 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' LYS . 77.0 m -90.79 -23.84 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 1.0 108.33 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -47.98 -24.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' CYS . 6.4 mmpt? -59.82 -33.71 72.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 1.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.86 -35.04 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 108.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -111.39 58.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 1.0 109.545 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -52.97 -40.75 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 1.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -94.21 42.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 1.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.85 161.68 5.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.519 1.137 . . . . 1.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -50.66 161.17 1.4 Allowed 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.325 3.35 . . . . 1.0 109.643 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.08 164.66 13.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 1.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.28 168.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 1.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.4 mt -114.7 99.58 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.56 53.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.26 35.2 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.115 . . . . 1.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 68.7 t80 -99.43 170.34 8.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 1.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 137.47 169.37 11.61 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.556 1.16 . . . . 1.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.652 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.42 -42.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 1.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -35.71 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 1.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.464 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.7 ttm -74.0 -48.04 33.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.17 -25.3 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 1.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.652 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 57.5 m170 -100.95 -57.55 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.94 -143.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 1.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 5.6 mttp -79.74 53.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 1.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.464 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.5 -62.16 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 1.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 m -120.28 -54.89 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -60.96 -25.05 66.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.42 -46.9 74.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 1.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.4 t -89.92 24.38 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.296 -1.001 . . . . 1.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.473 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 31.1 m170 -121.32 -69.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 1.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.8 mt-10 -50.28 -47.0 55.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.54 -43.32 1.84 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 1.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.18 -18.25 20.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER 69.96 51.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.71 129.49 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.18 178.09 17.13 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.529 1.143 . . . . 1.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 50.8 Cg_endo -66.94 94.38 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.328 3.352 . . . . 1.0 109.582 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -103.38 -14.33 16.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 1.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 164.08 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -79.2 -7.78 58.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.22 3.19 59.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 1.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -107.35 -45.68 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 1.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.01 -53.57 5.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 108.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 99.3 m-70 -87.62 79.82 8.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.603 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 109.315 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.414 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.9 t70 -62.3 -176.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.43 HG22 ' CE2' ' A' ' 6' ' ' PHE . 4.0 mt -154.65 130.29 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 1.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.499 HG12 ' OD1' ' A' ' 12' ' ' ASP . 15.7 t -115.63 137.1 50.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.43 ' CE2' HG22 ' A' ' 4' ' ' ILE . 94.8 m-85 -117.95 108.02 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -48.09 130.33 15.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.877 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -135.07 148.23 49.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 1.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.74 13.0 7.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.1 t30 -144.72 22.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 1.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.877 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.9 135.39 6.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 1.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.499 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -56.72 143.33 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.754 . . . . 1.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 t -110.13 97.8 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.55 144.72 49.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.447 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 11.5 t80 -146.8 109.3 4.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 1.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.756 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 21.1 Cg_exo -64.1 86.73 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.347 3.365 . . . . 1.0 109.623 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -62.75 -54.17 43.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 1.0 109.583 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -62.18 -54.85 35.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 109.246 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.756 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -47.88 -44.96 29.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -68.58 -26.28 65.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 1.0 109.577 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.0 mm-40 -71.87 -12.71 61.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 1.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.16 -23.59 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.62 -49.89 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 1.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.465 HG13 ' HD2' ' A' ' 25' ' ' PRO . 66.3 t -102.98 134.62 19.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.481 ' HG2' ' H ' ' A' ' 26' ' ' ASP . 70.8 Cg_endo -82.69 -97.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.327 3.352 . . . . 1.0 109.566 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.481 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 19.1 t0 -41.13 122.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 1.0 109.28 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 78.4 m -86.66 -22.09 26.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 108.301 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -49.12 -24.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.18 -31.06 70.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 82.8 m -112.04 -36.27 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 108.271 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -111.97 62.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.627 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -58.4 -40.5 82.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.91 36.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.89 156.81 10.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.545 1.153 . . . . 1.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -49.89 163.44 0.53 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.271 3.314 . . . . 1.0 109.631 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.53 -155.46 17.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 1.0 111.029 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 170.11 13.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.84 101.05 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.92 51.63 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.23 35.0 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 1.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -98.66 169.82 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.733 . . . . 1.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.09 169.92 11.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 1.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.673 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.34 -42.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 1.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.6 mt-10 -35.87 -75.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 1.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.472 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.7 ttm -72.88 -47.69 43.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 1.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.25 -25.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.673 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.2 m170 -100.8 -57.25 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.85 -144.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 1.0 111.013 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 1.6 mtpp -79.07 53.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 1.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.42 -62.33 0.45 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 1.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 m -120.46 -53.32 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.276 -1.009 . . . . 1.0 108.276 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 9.9 mtmt -61.35 -26.14 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.86 -42.82 85.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 1.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 t -90.19 18.89 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.1 m170 -119.53 -70.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.593 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -48.9 -44.59 40.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.72 -43.94 4.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.56 -11.94 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 1.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp 65.42 45.93 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -147.53 125.79 12.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.18 178.21 17.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.453 1.096 . . . . 1.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 57.9 Cg_endo -67.46 98.28 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.281 3.32 . . . . 1.0 109.59 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 p -106.09 -14.79 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 110.42 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 164.79 12.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.51 -7.69 58.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.7 3.53 59.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 1.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -108.0 -42.79 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 1.0 110.319 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.83 -55.14 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 1.0 108.289 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 99.1 m-70 -85.73 79.65 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 1.0 109.609 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 1.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.487 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.6 t70 -71.23 -176.31 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.6 mt -157.18 134.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 1.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.491 HG11 ' OD1' ' A' ' 12' ' ' ASP . 6.7 t -118.57 138.39 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 4' ' ' ILE . 96.0 m-85 -120.13 109.35 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 1.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.09 129.09 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.826 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -135.09 146.06 48.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -86.66 13.56 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 2.3 m-20 -145.76 22.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.826 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.4 133.53 5.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 1.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.491 ' OD1' HG11 ' A' ' 5' ' ' VAL . 2.4 m-20 -54.9 139.45 40.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 1.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.66 ' O ' HG12 ' A' ' 13' ' ' VAL . 3.0 t -103.47 84.33 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 142.3 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.404 ' CE1' ' CE1' ' A' ' 20' ' ' HIS . 50.9 t80 -148.2 117.81 4.19 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 94.0 Cg_endo -76.63 103.51 1.76 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.297 3.332 . . . . 1.0 109.612 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 50.8 t-80 -74.47 -53.28 9.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 109.626 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.9 ttmt -49.67 -39.72 37.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -62.54 -61.34 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.404 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 50.7 m80 -57.61 -16.31 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 2.2 mm-40 -77.8 -14.62 59.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -35.82 4.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.49 -52.62 63.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 1.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.588 HG13 ' HD2' ' A' ' 25' ' ' PRO . 57.3 t -107.92 138.81 20.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 1.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.588 ' HD2' HG13 ' A' ' 24' ' ' VAL . 87.8 Cg_endo -81.91 -93.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.315 3.344 . . . . 1.0 109.608 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.526 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 28.9 t70 -41.96 126.22 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 1.0 109.284 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 29' ' ' LYS . 66.7 m -90.15 -23.48 21.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 1.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -49.82 -21.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 1.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 27' ' ' CYS . 4.0 mmmp? -65.19 -29.49 70.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.2 m -113.63 -35.83 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 108.316 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 92.0 m-70 -112.86 70.71 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 1.0 109.577 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -39.88 92.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' NZ ' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -96.12 41.07 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 1.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' C ' ' HB3' ' A' ' 31' ' ' HIS . . . 74.88 150.4 2.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 1.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.529 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 74.6 Cg_exo -45.34 160.31 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.299 3.333 . . . . 1.0 109.611 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.88 -164.12 18.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 1.0 111.023 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 159.33 32.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 1.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.3 mt -108.39 104.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.411 ' HG2' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -80.36 50.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.63 34.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 1.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -98.08 168.56 10.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 1.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 139.42 168.78 11.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 1.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.658 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -32.14 -40.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 1.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 3.4 mm-40 -36.95 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 1.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.468 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.5 ttm -76.8 -45.1 30.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.15 -24.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.658 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.8 m170 -102.16 -57.62 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 109.646 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.23 -146.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 1.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -78.91 52.84 1.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 1.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.97 -63.53 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 1.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.5 m -117.67 -51.97 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -64.12 -23.16 67.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.03 -49.66 56.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 1.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 t -87.87 24.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 28.4 m170 -120.58 -68.89 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.68 -45.59 70.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 1.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -40.83 -43.12 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.04 -13.97 18.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 1.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt 67.19 46.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.77 122.86 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 1.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.51 176.25 16.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 1.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.27 100.7 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.315 3.343 . . . . 1.0 109.626 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.2 p -111.05 -2.02 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 110.409 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -108.38 164.55 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -8.9 59.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 1.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.23 4.19 58.53 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 1.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.49 -43.46 4.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 1.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.42 -54.25 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 108.278 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.5 m-70 -87.22 79.06 8.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.0 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 1.0 109.31 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.283 -0.636 . . . . 1.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -48.75 -24.03 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 1.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 1' ' ' ALA . 23.5 t0 -57.33 -176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 1.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.1 mt -153.4 131.68 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.613 HG12 ' OD1' ' A' ' 12' ' ' ASP . 18.3 t -114.71 136.62 50.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -117.19 103.12 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.35 121.47 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -123.86 151.42 43.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.2 12.79 9.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.5 t-20 -143.62 21.52 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 1.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.767 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.69 133.48 6.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 1.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.613 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -50.57 148.77 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 1.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.493 ' O ' HG12 ' A' ' 13' ' ' VAL . 5.2 t -117.78 92.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' CE ' ' OD2' ' A' ' 3' ' ' ASP . 2.2 mttp -66.26 141.09 58.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.689 ' CD2' HBB2 ' A' ' 102' ' ' HEM . 4.4 t80 -145.02 107.96 4.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.725 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.6 Cg_exo -63.15 95.65 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.309 3.339 . . . . 1.0 109.602 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.461 ' CE1' HE21 ' A' ' 21' ' ' GLN . 36.9 t-80 -73.09 -58.19 3.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 1.0 109.611 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 24.0 tptt -58.82 -40.58 84.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -61.74 -50.7 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -64.92 -13.81 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 1.0 109.578 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.544 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.6 mm-40 -84.0 -13.41 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -22.52 12.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.28 -45.93 11.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.645 HG13 ' HD2' ' A' ' 25' ' ' PRO . 87.0 t -104.79 139.17 19.83 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.645 ' HD2' HG13 ' A' ' 24' ' ' VAL . 76.8 Cg_endo -83.09 -97.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.317 3.345 . . . . 1.0 109.587 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.485 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 13.0 t70 -44.58 130.12 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 109.293 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.57 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 75.2 m -91.82 -20.99 20.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 108.304 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -22.62 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -64.78 -25.63 68.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.7 m -114.75 -37.53 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.0 108.288 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.531 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 95.5 m-70 -111.18 73.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.0 109.568 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -36.28 83.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -100.03 41.13 1.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 1.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.43 150.01 1.93 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.531 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 76.8 Cg_exo -46.26 137.44 14.13 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.298 3.332 . . . . 1.0 109.612 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.06 -157.39 27.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 1.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 157.93 29.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 1.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.0 mt -115.24 89.53 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -66.89 99.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 1.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.28 -7.99 5.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 1.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 93.3 t80 -58.08 168.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 1.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.492 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 136.68 179.47 16.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 1.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.679 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.55 -38.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 1.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.37 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 1.0 110.282 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.471 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.2 ttm -75.58 -45.26 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 1.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -43.56 -26.82 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 1.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.679 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 51.9 m170 -100.44 -57.96 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.23 -142.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 1.0 111.051 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 13.8 ttmt -79.89 53.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 1.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.471 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.27 -63.31 0.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 1.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -120.87 -50.94 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.503 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 8.8 mtmt -63.73 -25.07 68.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 1.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.44 -44.81 82.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 1.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.632 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 3.1 t -89.91 21.54 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 35.7 m170 -120.18 -68.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.604 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.22 -45.45 61.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 1.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.11 -43.07 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -97.05 -16.53 20.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.06 49.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 128.84 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.97 176.78 17.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 1.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.484 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.3 Cg_endo -64.18 96.48 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.322 3.348 . . . . 1.0 109.624 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.1 p -105.13 -15.85 14.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 110.43 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' HMC3 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -95.42 164.23 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 -6.96 58.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.48 0.69 61.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 1.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -104.32 -45.19 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 1.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.427 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.7 m -86.02 -53.5 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 1.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.2 m-70 -89.2 82.96 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 1.0 109.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -176.06 90.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.601 ' CMB' HBB2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.689 HBB2 ' CD2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.588 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -110.87 -23.64 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 1.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.435 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.2 t70 -59.52 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 6.1 mt -154.98 134.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.741 HG12 ' OD2' ' A' ' 12' ' ' ASP . 4.3 t -118.86 131.66 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -112.66 105.95 14.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 111.034 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.8 130.81 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 1.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.867 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -133.15 150.95 52.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -86.32 13.02 8.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 5.6 m-20 -147.56 24.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.867 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.05 133.29 6.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 1.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.741 ' OD2' HG12 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -53.99 146.84 13.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 1.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 t -113.14 98.4 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 145.98 48.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.626 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 13.2 t80 -147.89 108.43 3.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 1.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.725 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 24.2 Cg_exo -62.29 85.15 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.31 3.34 . . . . 1.0 109.603 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -61.71 -52.47 64.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 1.0 109.632 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -63.84 -56.31 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.725 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -46.29 -47.22 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.407 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 21.4 m80 -65.04 -29.84 70.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.619 ' OE1' ' C4B' ' A' ' 101' ' ' HEM . 0.0 OUTLIER -69.14 -13.13 62.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.93 -24.72 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.06 -49.64 6.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -94.52 124.19 56.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HG2' ' H ' ' A' ' 26' ' ' ASP . 72.3 Cg_endo -74.94 -95.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.367 3.378 . . . . 1.0 109.55 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 40.9 t0 -49.32 131.26 20.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 1.0 109.31 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.644 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 73.6 m -89.28 -23.51 22.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.58 -23.92 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 27' ' ' CYS . 2.3 mmtt -61.0 -29.59 69.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.5 m -114.79 -36.82 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 108.32 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -109.18 62.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -41.4 88.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.58 37.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.63 157.2 8.88 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 1.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.3 163.04 0.69 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.343 3.362 . . . . 1.0 109.547 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.54 -173.81 15.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 1.0 111.005 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 162.44 19.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.5 mt -117.05 84.67 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 99.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 1.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.82 -11.88 4.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 1.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.49 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 89.4 t80 -56.69 171.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 1.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 135.82 -179.55 17.67 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.479 1.112 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.675 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.24 -38.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 1.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.4 mt-10 -37.28 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.471 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.8 ttm -76.26 -43.07 43.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.21 -25.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.675 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 50.9 m170 -102.57 -56.22 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.97 -143.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.15 . . . . 1.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -80.39 53.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 1.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.471 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.51 -64.1 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.118 . . . . 1.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.7 m -117.37 -52.49 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.305 -0.998 . . . . 1.0 108.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.53 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 11.7 mtmt -63.87 -23.38 67.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 1.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.56 -52.41 34.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 1.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.602 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 13.3 t -87.61 27.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.468 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 23.5 m170 -122.57 -68.16 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 109.642 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.17 -47.35 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 1.0 110.231 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.45 -32.6 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.401 ' SD ' HMD3 ' A' ' 102' ' ' HEM . 16.0 mtp -97.93 -19.26 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.36 50.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -163.92 132.05 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.11 176.48 18.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.11 . . . . 1.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.409 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 58.9 Cg_endo -67.48 99.17 0.5 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.293 3.329 . . . . 1.0 109.632 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 p -108.54 -12.85 14.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 1.0 110.381 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 164.64 12.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 1.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -79.31 -6.51 56.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.97 4.57 56.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 1.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -108.94 -42.69 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 1.0 110.303 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.447 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -88.03 -54.36 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 1.0 108.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.449 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.7 m-70 -87.01 79.98 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.645 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' LYS . 8.8 tttt -174.24 88.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 1.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.644 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.635 ' CMC' HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.588 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.19 -25.16 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.418 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.0 t70 -63.02 -176.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 4.1 mt -154.97 133.23 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.759 HG12 ' OD1' ' A' ' 12' ' ' ASP . 5.5 t -118.25 136.84 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -117.79 108.01 14.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 1.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -47.6 128.26 12.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 1.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.867 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -130.9 149.91 52.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -85.83 12.81 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -146.49 23.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.867 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.98 133.84 6.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 1.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.759 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -53.4 145.42 14.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 1.0 109.267 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.475 ' O ' HG12 ' A' ' 13' ' ' VAL . 4.5 t -111.75 94.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 1.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 145.21 54.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.616 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 13.2 t80 -148.67 111.21 3.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.725 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 20.4 Cg_exo -64.25 93.41 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.28 3.32 . . . . 1.0 109.592 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -67.56 -53.64 26.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -64.89 -56.0 15.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.725 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -43.8 -49.16 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.437 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 18.7 m80 -62.78 -34.23 76.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 1.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.608 ' OE1' ' C4B' ' A' ' 101' ' ' HEM . 0.0 OUTLIER -64.66 -11.53 36.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 1.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -103.42 -25.5 13.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 1.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.17 -49.58 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 1.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.504 HG13 ' HD2' ' A' ' 25' ' ' PRO . 59.1 t -102.67 136.15 19.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.504 ' HD2' HG13 ' A' ' 24' ' ' VAL . 60.8 Cg_endo -83.94 -98.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.32 3.346 . . . . 1.0 109.576 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.476 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 9.5 t70 -39.9 129.34 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 109.34 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.588 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 82.9 m -90.77 -22.36 21.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 108.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -23.59 1.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 1.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 27' ' ' CYS . 8.6 mmpt? -61.58 -30.0 70.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 1.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.8 m -113.39 -36.11 5.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 108.283 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 91.3 m-70 -112.32 68.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 1.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -40.69 87.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 1.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.69 40.89 1.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' C ' ' HB3' ' A' ' 31' ' ' HIS . . . 75.23 150.03 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 1.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.538 ' CG ' HMB3 ' A' ' 101' ' ' HEM . 73.3 Cg_exo -45.29 156.3 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.283 3.322 . . . . 1.0 109.607 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.68 -155.97 21.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 1.0 110.998 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.68 163.2 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 1.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.5 mt -114.26 102.27 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 1.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -79.55 50.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 178.38 34.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 1.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -98.44 169.47 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 1.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.55 171.03 12.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 1.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.657 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.87 -41.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.765 . . . . 1.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.2 mm-40 -36.53 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.476 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.6 ttm -72.8 -46.73 51.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 1.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.88 -25.52 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.657 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.6 m170 -101.71 -57.17 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.46 -145.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -78.55 53.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 1.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -113.31 -64.34 0.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 1.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 m -117.62 -52.99 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.638 ' CD ' HMC3 ' A' ' 103' ' ' HEM . 2.1 mtmt -62.19 -26.33 68.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.57 -43.04 87.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 1.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.527 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 0.9 OUTLIER -89.81 18.93 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.247 -1.02 . . . . 1.0 108.247 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.5 m170 -119.73 -69.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.594 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.16 -46.04 61.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 1.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -51.91 -33.27 36.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.48 ' SD ' HMD3 ' A' ' 102' ' ' HEM . 14.6 mtp -98.23 -15.33 19.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 64.03 50.83 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.33 130.9 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.46 176.99 18.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.61 99.15 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.322 3.348 . . . . 1.0 109.617 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 p -110.17 -3.02 16.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 110.358 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.44 164.89 11.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 1.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -80.19 -9.43 59.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 108.28 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.39 3.9 59.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 1.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.08 -44.75 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 1.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.439 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -86.17 -53.6 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 1.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.448 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.7 m-70 -87.57 81.18 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.0 109.637 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -169.17 71.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.608 ' C4B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.616 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.638 HMC3 ' CD ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' C ' ' CG ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' CG ' ' C ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -169.99 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 1.0 109.285 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -60.44 -176.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 6.4 mt -155.93 131.57 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.655 HG12 ' OD1' ' A' ' 12' ' ' ASP . 4.7 t -117.92 135.89 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -116.86 99.95 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 1.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 131.45 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.866 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -134.71 151.36 50.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.97 13.99 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.6 m-20 -148.25 23.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 1.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.866 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.49 133.21 5.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 1.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.655 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -58.51 141.47 51.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 1.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.1 t -105.76 102.33 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 1.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 143.0 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.724 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 13.4 t80 -144.63 107.68 4.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.774 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 23.7 Cg_exo -62.64 93.7 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.308 3.339 . . . . 1.0 109.62 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.46 ' CE1' HE21 ' A' ' 21' ' ' GLN . 31.9 t-80 -69.55 -56.87 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 1.0 109.62 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 9.1 tptm -58.35 -45.79 87.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -57.8 -49.86 75.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -65.83 -17.66 64.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.49 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 8.0 mm-40 -81.12 -12.09 59.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -22.54 12.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 1.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.28 -49.63 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.6 t -97.08 129.3 32.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 1.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.464 ' HG2' ' H ' ' A' ' 26' ' ' ASP . 90.5 Cg_endo -79.86 -96.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.309 3.339 . . . . 1.0 109.61 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.464 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 17.4 t70 -45.06 120.37 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.572 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 71.2 m -83.3 -23.41 32.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 1.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -48.09 -24.21 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 27' ' ' CYS . 13.1 mmtt -59.99 -33.2 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.2 m -111.83 -33.74 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -113.3 62.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -59.69 -40.34 87.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.44 34.73 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.73 162.79 25.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 1.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.44 ' HB3' HMB3 ' A' ' 101' ' ' HEM . 15.8 Cg_endo -53.14 160.97 3.89 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.338 . . . . 1.0 109.587 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.81 -163.4 17.45 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.14 . . . . 1.0 111.002 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 166.78 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 1.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.6 mt -119.27 93.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 1.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.2 103.06 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.62 -20.83 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 1.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 19.5 t80 -47.38 160.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 1.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.539 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 151.74 173.46 21.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 1.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.661 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.45 -42.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 1.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -37.37 -68.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 1.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.466 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -77.95 -46.68 20.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -48.13 -23.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 1.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.661 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.3 m170 -101.52 -54.39 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.59 -140.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 1.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.9 OUTLIER -83.6 49.35 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 1.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -107.49 -63.26 0.58 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.585 1.178 . . . . 1.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.1 m -117.74 -55.07 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.557 ' HG2' HBC2 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -61.3 -22.25 64.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.07 -55.28 16.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 1.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.604 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 23.5 t -86.36 29.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.35 -0.982 . . . . 1.0 108.35 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 20.2 m170 -122.68 -68.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 1.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -52.91 -45.99 67.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -28.41 17.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 1.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.523 ' SD ' HMD3 ' A' ' 102' ' ' HEM . 9.6 mtp -99.7 -12.98 19.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm 59.21 52.02 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 1.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.33 129.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.82 175.17 15.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 1.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 57.2 Cg_endo -66.9 96.38 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.291 3.327 . . . . 1.0 109.546 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.9 p -106.13 -11.92 15.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 1.0 110.336 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -99.41 163.95 12.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -5.21 53.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 1.0 108.32 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.96 3.38 55.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.425 1.078 . . . . 1.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -108.71 -43.65 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 1.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.442 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -86.74 -52.5 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 108.299 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.436 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.8 m-70 -89.45 76.18 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.643 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.79 77.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 1.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.572 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.724 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.557 HBC2 ' HG2' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -49.76 -22.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 1.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.453 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.0 t70 -63.62 -177.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.534 HG22 ' CE2' ' A' ' 6' ' ' PHE . 4.1 mt -156.29 128.5 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.423 HG12 ' OD1' ' A' ' 12' ' ' ASP . 14.7 t -114.91 142.47 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.534 ' CE2' HG22 ' A' ' 4' ' ' ILE . 96.4 m-85 -122.93 103.23 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 1.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.93 125.91 4.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.876 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -127.89 152.28 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 1.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -87.4 14.64 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 5.3 m-20 -149.24 24.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.876 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.21 134.37 6.27 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 1.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.7 OUTLIER -55.55 143.32 30.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 1.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 t -109.44 105.66 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 145.55 37.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 1.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.681 ' CD2' HBB2 ' A' ' 102' ' ' HEM . 3.1 t80 -148.48 106.31 3.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.745 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 24.8 Cg_exo -61.67 94.12 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.299 3.333 . . . . 1.0 109.604 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.452 ' CE1' HE21 ' A' ' 21' ' ' GLN . 32.9 t-80 -70.26 -57.13 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 109.605 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 36.3 tttm -58.82 -44.79 90.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -58.72 -47.89 83.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -67.45 -14.73 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 1.0 109.676 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.5 mm-40 -84.55 -12.25 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 1.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.9 -23.59 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.98 -48.16 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.555 HG13 ' HD2' ' A' ' 25' ' ' PRO . 64.3 t -99.83 137.16 20.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.555 ' HD2' HG13 ' A' ' 24' ' ' VAL . 67.7 Cg_endo -82.62 -98.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.291 3.327 . . . . 1.0 109.57 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.478 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 15.1 t0 -44.7 128.65 6.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 109.315 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.573 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 72.7 m -89.31 -22.2 22.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -48.9 -23.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 1.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 27' ' ' CYS . 4.5 mmtt -61.59 -33.01 73.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 1.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 98.0 m -110.54 -33.31 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 108.339 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -114.65 59.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -42.21 70.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 1.0 110.287 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.41 39.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.49 159.89 8.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 1.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HB3' HMB3 ' A' ' 101' ' ' HEM . 11.0 Cg_endo -50.9 157.01 4.12 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 1.0 109.6 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.94 -164.97 20.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 1.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 163.98 26.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 mt -114.74 98.81 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -76.65 102.35 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 1.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.56 -13.09 5.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 21.9 t80 -53.51 158.82 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 1.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.51 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 153.49 168.34 17.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 1.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.642 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -30.92 -43.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 0.778 . . . . 1.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 19.6 mm-40 -35.96 -61.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 1.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.465 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 2.0 ttp -84.65 -44.79 13.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . . . -49.04 -22.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.642 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 45.6 m170 -103.08 -53.01 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 1.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.29 -138.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 1.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -85.23 48.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 1.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.465 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -106.67 -63.88 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.437 1.085 . . . . 1.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.4 m -117.25 -54.99 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.709 ' CE ' HMC3 ' A' ' 103' ' ' HEM . 0.1 OUTLIER -61.23 -21.54 63.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 1.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -68.59 -51.13 32.53 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.466 1.104 . . . . 1.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.617 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 8.2 t -88.0 25.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.269 -1.011 . . . . 1.0 108.269 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 27.6 m170 -121.31 -68.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.637 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.5 mt-10 -53.66 -45.76 70.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.74 -42.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -97.25 -17.36 19.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 1.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER 70.15 51.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -157.26 127.33 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.08 176.22 16.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.108 . . . . 1.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.431 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.7 Cg_endo -63.94 94.68 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.337 3.358 . . . . 1.0 109.598 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 p -105.65 -2.92 22.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 1.0 110.395 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -108.02 164.15 12.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -6.97 59.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.55 2.0 58.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 1.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -107.13 -44.65 4.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 0.757 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -85.31 -51.65 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 108.292 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.443 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.6 m-70 -90.64 79.34 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 109.595 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -168.75 73.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 1.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.573 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.681 HBB2 ' CD2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.709 HMC3 ' CE ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -75.87 -24.55 55.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.98 -175.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.7 mt -152.26 133.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.493 HG12 ' OD2' ' A' ' 12' ' ' ASP . 7.1 t -118.3 136.35 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -117.06 101.16 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 1.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.83 126.44 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -137.65 146.28 43.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -83.88 10.28 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 24.3 t-20 -133.94 15.39 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.633 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.28 134.5 6.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 1.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.493 ' OD2' HG12 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -54.61 134.53 46.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 1.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 13' ' ' VAL . 4.9 t -100.99 86.96 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -62.36 138.91 58.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.696 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 12.4 t80 -140.95 110.45 6.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 1.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.759 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 19.5 Cg_exo -64.5 93.41 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.345 . . . . 1.0 109.622 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -68.25 -54.91 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.635 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -64.72 -53.48 46.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -46.26 -45.29 17.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 16.5 m80 -66.86 -29.75 69.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.613 ' OE1' ' C4B' ' A' ' 101' ' ' HEM . 0.0 OUTLIER -68.16 -13.15 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 1.0 110.273 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -101.27 -25.06 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 1.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.59 -48.61 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 25' ' ' PRO . 86.0 t -97.75 136.2 21.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 1.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 24' ' ' VAL . 53.8 Cg_endo -84.43 -98.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.314 3.343 . . . . 1.0 109.625 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.496 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 3.4 t70 -44.38 132.05 6.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.321 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.591 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 75.7 m -90.89 -23.51 20.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 108.292 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -48.28 -24.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' CYS . 6.0 mmtt -60.66 -31.82 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.4 m -111.55 -35.52 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 108.291 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -112.26 60.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -40.17 77.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.278 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -94.75 40.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 1.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.58 159.89 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 1.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -51.99 153.62 11.79 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.281 3.32 . . . . 1.0 109.619 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.14 178.06 15.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 1.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 167.34 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 1.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.4 mt -121.78 80.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.11 100.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 1.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.12 -19.53 3.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.558 1.162 . . . . 1.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 82.1 t80 -49.17 171.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 1.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 136.23 178.8 16.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 1.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.684 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.0 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 1.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.9 mm-40 -37.1 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.6 ttm -76.93 -43.4 35.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.51 -25.59 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 1.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.684 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 47.5 m170 -101.21 -57.23 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.21 -142.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 1.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -80.58 53.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 1.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.06 -62.65 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 1.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.0 m -120.17 -52.24 2.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.547 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.1 OUTLIER -62.82 -25.48 68.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -65.78 -45.97 85.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 1.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.613 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 4.4 t -89.57 22.49 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.475 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 33.4 m170 -120.49 -68.64 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 1.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.25 -45.69 65.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 1.0 110.316 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.96 -43.01 2.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 1.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -97.93 -15.77 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.28 46.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 1.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -150.09 127.41 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.89 178.92 17.85 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.478 1.111 . . . . 1.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 65.1 Cg_endo -68.48 98.79 0.58 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.354 . . . . 1.0 109.613 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 p -106.33 -17.46 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 110.409 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' HMC3 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -93.63 165.07 12.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 1.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.33 -7.81 58.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 1.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.36 2.4 59.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 1.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -106.27 -40.17 5.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 1.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.448 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.5 m -91.16 -56.25 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 108.342 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.463 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.3 m-70 -85.52 77.47 9.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.602 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -173.77 89.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 1.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 1.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.613 ' C4B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.696 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.567 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -26.69 65.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 1.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.436 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 26.6 t0 -65.81 -176.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.436 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.0 mt -155.64 135.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.509 HG12 ' OD1' ' A' ' 12' ' ' ASP . 6.3 t -117.6 136.77 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' LYS . 71.2 m-85 -119.55 98.07 5.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 1.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' PHE . 6.8 mmtt -39.71 125.28 1.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.826 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -128.27 149.26 50.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -86.1 12.62 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.291 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.62 23.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.826 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.75 133.75 6.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 1.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.509 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -53.75 145.06 16.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 1.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.726 ' O ' HG12 ' A' ' 13' ' ' VAL . 8.7 t -108.35 72.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -49.55 136.1 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.608 ' CE1' ' C1B' ' A' ' 102' ' ' HEM . 34.4 t80 -144.6 118.19 5.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.66 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 89.6 Cg_endo -77.17 106.61 2.27 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.347 3.365 . . . . 1.0 109.58 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -75.66 -53.54 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 1.0 109.6 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 19.8 tttm -52.77 -57.41 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 1.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.66 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -40.7 -58.64 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.437 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 45.2 m80 -56.81 -35.15 68.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 10.9 mm-40 -65.73 -13.62 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 1.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.08 -10.26 13.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.64 -52.87 3.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 25' ' ' PRO . 91.9 t -101.14 139.12 20.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.634 ' HD2' HG13 ' A' ' 24' ' ' VAL . 88.1 Cg_endo -81.67 -94.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.329 3.353 . . . . 1.0 109.595 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.501 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 15.6 t70 -45.7 127.51 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.295 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.588 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 81.4 m -90.1 -21.89 22.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 1.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -50.14 -22.79 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 27' ' ' CYS . 12.9 mmtm -64.34 -29.01 70.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.449 ' SG ' HMC3 ' A' ' 102' ' ' HEM . 92.6 m -112.38 -36.83 5.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 108.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.9 m-70 -112.45 71.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.617 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -60.99 -39.97 91.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 1.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -95.63 40.32 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 1.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.65 150.08 2.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 1.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.55 ' CG ' HMB3 ' A' ' 101' ' ' HEM . 74.8 Cg_exo -45.5 147.66 2.62 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.304 3.336 . . . . 1.0 109.622 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.48 -157.35 26.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.13 . . . . 1.0 110.999 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 159.41 24.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 1.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -113.5 87.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 1.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 97.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.59 -8.91 4.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 1.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 91.7 t80 -55.96 168.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 1.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 140.22 176.08 14.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 1.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.679 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -33.64 -38.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 1.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.08 -73.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.481 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 6.2 ttm -80.16 -41.45 25.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.12 . . . . 1.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.25 -23.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.679 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 49.1 m170 -103.44 -57.65 2.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.602 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.1 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 1.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -78.76 53.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 1.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.481 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.53 -64.34 0.47 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 1.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 m -116.47 -51.17 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 1.1 mtmt -65.06 -22.79 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.97 -49.34 54.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 1.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.642 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 4.8 t -87.71 23.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 31.4 m170 -120.65 -68.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 1.0 109.609 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.48 -45.87 62.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -30.79 57.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 1.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.9 mtp -99.29 -9.39 23.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 1.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm 54.76 51.43 13.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 1.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.87 129.13 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 1.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.35 178.39 18.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 1.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.54 101.77 0.67 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.31 3.34 . . . . 1.0 109.636 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -112.21 -2.9 14.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 1.0 110.371 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' O ' HMC3 ' A' ' 103' ' ' HEM . 6.3 mmmm -108.55 165.75 11.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 1.0 109.236 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -7.94 59.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 1.0 108.323 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.36 3.56 58.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 1.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -109.26 -42.86 4.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 1.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.453 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -86.86 -54.19 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.418 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 99.8 m-70 -86.64 78.02 9.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 1.0 109.586 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -166.84 75.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.606 ' CGA' HMA2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.642 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.576 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.52 -22.82 67.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 1.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.3 -176.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.557 HG22 ' CE2' ' A' ' 6' ' ' PHE . 3.7 mt -149.83 129.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 1.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 t -114.97 141.93 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.557 ' CE2' HG22 ' A' ' 4' ' ' ILE . 96.5 m-85 -122.88 108.08 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 1.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -48.96 123.81 7.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 1.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.873 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -125.32 152.49 44.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HE3' ' CGA' ' A' ' 103' ' ' HEM . 7.8 mttt -87.76 14.96 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 1.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -150.09 25.77 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.873 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.99 133.49 6.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 1.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.51 141.27 37.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 t -106.75 99.84 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 144.61 48.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.672 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 11.8 t80 -147.51 109.03 3.86 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 1.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.776 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.9 Cg_exo -63.01 94.12 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.318 3.346 . . . . 1.0 109.599 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 30.1 t-80 -71.62 -58.33 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 1.0 109.598 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 16.2 tttt -57.6 -39.11 76.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.776 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -64.05 -54.3 36.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -61.91 -14.13 31.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.578 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.507 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 8.3 mm-40 -82.03 -13.35 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 1.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.21 -20.01 13.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.85 -46.08 9.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 1.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -110.34 102.76 52.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.04 -70.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.344 3.362 . . . . 1.0 109.574 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -60.9 125.67 24.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 1.0 109.369 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.589 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 82.2 m -91.68 -23.4 19.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 108.365 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -50.18 -22.25 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -64.54 -28.45 69.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.7 m -114.35 -35.85 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 108.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 94.9 m-70 -112.26 70.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.63 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -62.73 -40.28 96.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.25 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 41.75 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 1.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.69 151.56 2.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 1.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.542 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 74.9 Cg_exo -46.94 154.91 0.97 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.314 3.343 . . . . 1.0 109.605 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.43 -167.65 22.97 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.509 1.131 . . . . 1.0 110.973 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 161.25 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 1.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.5 mt -117.23 95.89 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.14 104.85 3.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 110.332 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.45 -20.01 5.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 1.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 27.3 t80 -47.5 160.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 1.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 151.33 172.77 20.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 1.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.648 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.37 -42.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 1.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -36.78 -70.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 1.0 110.245 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.479 ' HG3' ' CA ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -75.87 -48.53 21.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 1.0 111.005 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.94 -25.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.648 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.8 m170 -100.55 -55.51 2.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 1.0 109.588 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.05 -139.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.142 . . . . 1.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.45 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 1.5 mttt -82.92 51.12 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 1.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.479 ' CA ' ' HG3' ' A' ' 45' ' ' MET . . . -109.65 -62.93 0.52 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 1.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -119.22 -54.97 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.672 ' CE ' HMC3 ' A' ' 103' ' ' HEM . 0.1 OUTLIER -61.09 -23.84 65.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.26 -49.93 48.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.609 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 7.6 t -88.52 25.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.251 -1.018 . . . . 1.0 108.251 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.473 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 28.2 m170 -121.63 -68.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 109.61 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.2 mt-10 -53.45 -45.79 69.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.42 -40.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -97.94 -17.62 19.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 1.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER 70.33 51.61 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 1.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.72 129.7 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.27 175.91 16.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 1.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.475 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.1 Cg_endo -64.96 96.4 0.26 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.308 3.338 . . . . 1.0 109.58 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.4 p -106.46 -11.46 15.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.71 163.73 12.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -6.05 57.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 108.273 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.79 2.61 58.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.166 . . . . 1.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -107.92 -46.42 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 1.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.434 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -83.63 -51.69 7.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 108.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.9 m-70 -90.44 82.42 5.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 1.0 109.638 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -171.26 70.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 1.0 109.29 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.7 pttp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 1.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.589 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.672 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.672 HMC3 ' CE ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -56.42 -22.97 35.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.79 -176.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.5 mt -151.49 131.87 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.361 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -116.3 139.22 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 1.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -118.29 96.41 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -41.85 122.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -129.06 146.76 50.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 1.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.1 10.6 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.99 17.45 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 1.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.831 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 115.98 135.15 5.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.84 136.08 57.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 t -103.63 98.75 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 1.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.07 142.42 50.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.732 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 8.7 t80 -145.33 108.75 4.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.787 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 18.1 Cg_exo -64.91 94.34 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.329 3.353 . . . . 1.0 109.618 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' CE1' HE21 ' A' ' 21' ' ' GLN . 39.3 t-80 -72.0 -58.26 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 1.0 109.596 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.0 tptt -58.55 -39.11 79.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.787 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -63.34 -51.71 64.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -64.5 -12.61 45.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 1.0 109.631 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.7 mm-40 -83.64 -13.79 53.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 1.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.06 -20.36 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.03 -44.52 10.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 1.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 26' ' ' ASP . 84.0 t -110.59 102.77 52.89 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 1.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.76 -70.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.314 3.343 . . . . 1.0 109.593 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.406 ' O ' HG12 ' A' ' 24' ' ' VAL . 22.2 t0 -60.55 126.81 28.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 1.0 109.269 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.604 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 74.1 m -93.79 -23.0 18.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 108.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -50.24 -22.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 1.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -66.22 -26.52 67.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.0 m -114.04 -37.23 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 1.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.409 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.6 m-70 -112.6 58.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -57.21 -42.11 80.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 1.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -92.02 38.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 1.0 109.304 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.9 155.17 8.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 1.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 9.8 Cg_endo -50.94 158.69 2.92 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.301 3.334 . . . . 1.0 109.574 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.44 -164.61 17.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 1.0 111.037 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.74 166.61 23.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 1.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mt -121.06 79.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.18 102.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.7 -16.78 4.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 1.0 111.017 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.453 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 94.6 t80 -50.5 169.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 0.796 . . . . 1.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 135.62 177.7 15.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 1.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.673 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.3 -38.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 1.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -37.49 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 1.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.475 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 6.8 ttm -78.5 -43.88 25.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 1.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.56 -25.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.673 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.2 m170 -101.16 -57.89 2.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.615 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.26 -143.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 1.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -79.92 53.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.59 -64.12 0.49 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 1.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.2 m -120.22 -50.28 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -63.67 -26.62 68.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 1.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -65.25 -41.94 96.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 1.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.632 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 3.7 t -91.08 20.91 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.432 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 33.2 m170 -119.41 -68.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.33 -45.5 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 1.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.57 -42.39 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 1.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mtt -97.74 -16.52 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.31 48.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 1.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -154.1 131.11 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 1.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.34 176.82 18.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.551 1.157 . . . . 1.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.481 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.7 Cg_endo -64.69 101.03 0.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.323 3.349 . . . . 1.0 109.588 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -109.18 -14.18 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.41 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' HMC3 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -96.13 164.25 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -7.71 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 108.349 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.53 -0.89 64.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 1.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -102.89 -46.66 4.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 1.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.425 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 3.5 m -85.51 -53.0 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 94.9 m-70 -90.79 78.69 6.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 1.0 109.552 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.6 87.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.298 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.663 ' O1D' HMD1 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.732 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.579 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -48.28 -23.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 1' ' ' ALA . 5.5 t70 -64.94 -176.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 mt -149.26 134.09 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 1.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.622 HG12 ' OD1' ' A' ' 12' ' ' ASP . 11.7 t -116.94 138.53 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 1.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.78 99.41 6.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -43.36 131.65 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -140.37 149.6 42.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 1.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -85.29 12.39 8.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.9 t30 -138.96 18.75 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.645 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.82 132.87 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 1.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.622 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -55.43 136.34 49.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 1.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 t -102.96 98.77 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.51 144.42 49.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.704 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 14.5 t80 -146.85 109.97 4.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.774 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.4 Cg_exo -63.26 96.57 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.293 3.329 . . . . 1.0 109.623 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 28.8 t-80 -72.91 -58.62 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 109.609 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 4.9 tttt -58.24 -40.58 82.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 1.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -61.79 -51.83 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -64.43 -12.42 43.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 1.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.537 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.6 mm-40 -85.39 -10.92 55.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 1.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.47 -20.43 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.83 -48.96 7.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 1.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.494 HG21 ' CBC' ' A' ' 102' ' ' HEM . 61.3 t -111.82 101.11 50.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -55.28 -70.32 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.383 3.389 . . . . 1.0 109.59 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -55.51 122.49 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.601 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 69.8 m -91.52 -22.66 20.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 1.0 108.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -50.46 -22.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 1.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -65.62 -25.86 67.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.6 m -116.11 -37.64 3.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 1.0 108.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 91.0 m-70 -112.21 73.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 1.0 109.616 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -42.84 99.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 40.05 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.24 150.89 3.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 1.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.577 ' CG ' HMB3 ' A' ' 101' ' ' HEM . 76.3 Cg_exo -46.12 143.02 7.92 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.308 3.339 . . . . 1.0 109.597 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.85 -156.81 27.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 1.0 111.021 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 165.6 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 1.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.3 mt -121.61 91.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.76 98.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 1.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.62 -11.49 4.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 1.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.464 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 94.2 t80 -54.57 169.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 1.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 137.12 179.31 16.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 1.0 111.041 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.677 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -33.7 -38.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 1.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.3 tt0 -37.4 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.478 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.0 ttm -77.57 -43.21 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 1.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.35 -25.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.677 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 49.5 m170 -102.08 -57.22 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 109.557 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.79 -145.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 1.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -78.84 53.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.777 . . . . 1.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.478 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.37 -64.31 0.47 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 1.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.7 m -118.28 -51.63 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.52 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -62.89 -25.85 68.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 1.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -68.07 -41.56 86.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 1.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.565 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 1.1 t -91.0 19.06 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' LYS . 41.7 m170 -119.6 -69.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 1.0 109.603 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -49.94 -46.91 52.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 110.351 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -53.11 -31.55 42.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 1.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.493 ' SD ' HMD3 ' A' ' 102' ' ' HEM . 12.2 mtp -97.01 -18.66 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 66.85 50.75 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 1.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.47 130.47 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.67 174.28 16.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 1.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 44.8 Cg_endo -65.86 96.96 0.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.305 3.337 . . . . 1.0 109.62 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.7 p -104.3 -20.59 13.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 1.0 110.429 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.502 ' O ' HMC3 ' A' ' 103' ' ' HEM . 2.5 mptt -89.9 164.77 14.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 1.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -9.34 59.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.32 2.17 62.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 1.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -104.63 -43.37 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 1.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.456 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.5 m -88.5 -53.83 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 1.0 108.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.422 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.7 m-70 -87.75 82.39 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.77 87.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 1.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.601 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.704 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.581 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.559 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 1.2 m-20 86.92 -24.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -64.5 -176.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 1.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.497 HG22 ' CE2' ' A' ' 6' ' ' PHE . 3.5 mt -153.96 125.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 1.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.634 HG12 ' OD1' ' A' ' 12' ' ' ASP . 6.6 t -114.62 138.14 45.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.506 1.129 . . . . 1.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CE2' HG22 ' A' ' 4' ' ' ILE . 97.2 m-85 -118.53 99.73 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.31 128.7 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.875 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -132.05 151.37 51.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -86.63 14.02 7.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 1.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -148.32 24.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.875 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.36 133.51 6.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 1.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.634 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -57.82 138.79 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 1.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 t -102.83 99.52 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 1.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 144.28 48.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.699 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 14.2 t80 -146.45 109.08 4.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 1.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.762 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 23.4 Cg_exo -62.86 94.05 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.353 3.369 . . . . 1.0 109.557 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.469 ' CE1' HE21 ' A' ' 21' ' ' GLN . 31.0 t-80 -71.34 -58.4 3.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 1.0 109.63 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.0 ttpp -57.24 -39.62 75.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -64.12 -53.54 47.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 1.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -62.35 -15.77 50.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 1.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.513 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 8.7 mm-40 -80.08 -11.93 59.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 110.298 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.22 -34.35 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.63 -51.25 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.579 HG13 ' HD2' ' A' ' 25' ' ' PRO . 61.5 t -98.33 138.22 20.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.579 ' HD2' HG13 ' A' ' 24' ' ' VAL . 64.8 Cg_endo -82.82 -98.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.361 3.374 . . . . 1.0 109.614 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.474 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 18.4 t0 -44.34 127.98 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.576 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 71.2 m -87.24 -22.86 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 1.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -48.4 -23.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 1.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 27' ' ' CYS . 9.6 mmpt? -60.34 -32.88 71.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.3 m -111.64 -34.09 6.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 108.31 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -112.8 57.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.602 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -41.49 69.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.66 38.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.75 160.94 9.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.148 . . . . 1.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -52.51 160.74 3.38 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.263 3.309 . . . . 1.0 109.609 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.49 -165.49 16.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 1.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 162.33 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 1.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.3 mt -114.8 84.45 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.78 103.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 1.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.05 -10.72 5.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.15 . . . . 1.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 48.1 t80 -57.3 163.41 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.766 . . . . 1.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 147.19 172.23 17.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 1.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.656 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 1.8 ptpt -31.24 -42.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 1.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.2 mt-10 -36.89 -68.01 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.47 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.8 OUTLIER -78.85 -47.33 16.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 1.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.91 -24.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.656 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.8 m170 -101.22 -54.52 2.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.58 -138.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 1.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -84.49 49.84 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 1.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -108.63 -61.41 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 1.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 m -119.7 -55.74 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.712 ' CE ' HMC3 ' A' ' 103' ' ' HEM . 0.1 OUTLIER -60.94 -21.92 63.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' O ' ' OE2' ' A' ' 57' ' ' GLU . . . -67.47 -52.6 29.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 1.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.623 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 11.1 t -87.73 27.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 23.9 m170 -122.69 -67.98 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.592 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' LYS . 7.5 mt-10 -54.69 -48.22 72.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -41.68 -39.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 1.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -97.19 -18.53 19.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLU . 21.2 mmtt 69.03 51.24 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.84 124.45 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.83 174.95 14.8 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 1.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.456 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 36.6 Cg_endo -64.45 95.82 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.294 3.329 . . . . 1.0 109.563 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 p -106.69 0.6 24.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 110.412 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -110.37 164.95 12.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 1.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -7.81 59.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 1.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.74 3.27 58.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 1.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -109.62 -43.27 4.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 1.0 110.325 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -85.87 -52.69 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 108.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.44 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 99.5 m-70 -88.86 81.39 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.623 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' LYS . 4.3 tttp -170.7 72.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.3 pttp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 1.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.576 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.699 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.712 HMC3 ' CE ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 1.0 109.283 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -48.47 -23.09 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 1' ' ' ALA . 6.1 t70 -63.82 -176.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.5 mt -152.21 133.3 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.533 HG12 ' OD2' ' A' ' 12' ' ' ASP . 8.9 t -120.17 136.83 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -116.33 98.67 6.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.04 124.5 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -130.65 147.05 52.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 1.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -84.58 11.11 9.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.1 t-20 -140.5 19.05 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.882 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 116.71 134.59 5.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 1.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.533 ' OD2' HG12 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -61.52 135.09 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.753 . . . . 1.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 t -103.08 103.12 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 147.44 40.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.715 ' CD2' HBB2 ' A' ' 102' ' ' HEM . 4.7 t80 -150.42 108.19 3.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.813 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 17.8 Cg_exo -65.26 97.3 0.3 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.31 3.34 . . . . 1.0 109.61 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.46 ' CE1' HE21 ' A' ' 21' ' ' GLN . 36.6 t-80 -71.69 -58.22 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 109.627 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.6 tptt -59.06 -44.9 91.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.813 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -57.46 -46.16 83.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 1.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -69.92 -13.5 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.612 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.529 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.7 mm-40 -83.97 -12.02 55.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 -19.73 13.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 1.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.14 -47.22 8.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.431 HG21 ' CBC' ' A' ' 102' ' ' HEM . 57.9 t -109.73 103.54 53.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 1.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -56.4 -70.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.306 3.337 . . . . 1.0 109.631 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.72 126.85 28.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 1.0 109.315 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.607 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 70.1 m -93.21 -22.49 19.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -49.55 -23.11 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' CYS . 1.5 mmtp -64.57 -27.95 69.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.5 m -113.83 -36.75 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 108.323 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -113.72 64.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.586 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -36.49 80.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 1.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 24.05 3.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.35 156.59 32.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 1.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -51.74 153.1 11.9 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.293 3.329 . . . . 1.0 109.624 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.19 -173.13 17.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 1.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 169.35 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.774 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.603 HD12 ' O2D' ' A' ' 101' ' ' HEM . 13.6 mt -121.02 88.88 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.76 100.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.38 -12.19 4.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 1.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 89.1 t80 -54.13 168.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 1.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.23 176.6 14.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 1.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.672 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.08 -39.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 1.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.5 tt0 -37.37 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 1.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.8 ttm -76.87 -43.43 36.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -46.03 -24.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.672 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.3 m170 -102.76 -56.66 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 1.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.9 -143.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 1.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 9.8 mttp -80.15 53.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.96 -64.18 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 1.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.9 m -118.51 -51.63 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.353 -0.98 . . . . 1.0 108.353 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.592 ' CD ' HMC3 ' A' ' 103' ' ' HEM . 0.5 OUTLIER -62.46 -27.38 69.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 1.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.54 -42.91 93.3 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.112 . . . . 1.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.535 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 1.2 t -89.63 18.89 5.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 40.9 m170 -119.54 -69.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 1.0 109.612 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -51.63 -44.52 62.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 1.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.55 -43.11 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -99.61 -13.82 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp 67.56 47.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 1.0 109.247 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -151.54 124.72 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.44 176.85 16.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 32.7 Cg_endo -64.17 99.56 0.29 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.328 3.352 . . . . 1.0 109.58 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.8 p -109.6 -5.6 15.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 1.0 110.366 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -106.49 165.99 10.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -7.88 59.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 1.0 108.286 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.32 1.17 60.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 1.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -105.9 -44.79 4.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 1.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.43 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.4 m -87.04 -54.11 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 1.0 108.235 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 98.9 m-70 -87.53 71.71 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.32 71.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 1.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.798 ' CGA' HMA1 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.715 HBB2 ' CD2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.592 HMC3 ' CD ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.52 -24.62 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.16 -176.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.0 mt -153.11 133.04 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.7 HG12 ' OD1' ' A' ' 12' ' ' ASP . 4.0 t -119.28 137.26 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -118.3 105.35 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.6 131.59 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.853 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -136.4 150.65 48.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 1.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -86.15 12.85 8.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.49 ' OD1' ' HB1' ' A' ' 8' ' ' ALA . 2.7 p30 -146.16 23.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.853 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 111.82 134.09 6.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 1.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.7 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -56.88 137.96 54.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 1.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.4 t -102.02 102.02 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 145.08 43.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.668 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 12.7 t80 -146.61 108.89 4.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 1.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.745 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 23.2 Cg_exo -63.03 96.42 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.318 3.346 . . . . 1.0 109.623 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -73.48 -56.49 4.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 109.594 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -60.86 -41.7 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -60.08 -54.93 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -58.35 -23.44 56.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 1.0 109.594 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.629 ' OE1' ' C4B' ' A' ' 101' ' ' HEM . 0.0 OUTLIER -74.15 -12.09 60.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.34 -24.07 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.54 -49.33 6.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 25' ' ' PRO . 64.1 t -97.52 138.55 21.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 1.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.603 ' HD2' HG13 ' A' ' 24' ' ' VAL . 40.3 Cg_endo -85.67 -101.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.339 3.359 . . . . 1.0 109.64 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.49 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 3.6 t70 -41.7 133.06 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 1.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.572 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 71.5 m -91.63 -25.36 19.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 108.258 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.2 -24.76 0.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 27' ' ' CYS . 20.9 mmtt -59.29 -33.37 71.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 1.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 84.6 m -111.76 -33.45 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 1.0 108.306 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -112.73 63.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.557 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -59.68 -40.43 87.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 35.64 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.26 160.17 14.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 1.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.539 ' HB3' HMB3 ' A' ' 101' ' ' HEM . 9.6 Cg_endo -50.76 162.28 1.07 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.314 3.343 . . . . 1.0 109.589 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.78 -160.49 17.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.445 1.091 . . . . 1.0 110.972 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.58 165.09 21.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.9 mt -117.22 86.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.56 99.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.88 -12.93 4.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 1.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 35.8 t80 -54.93 161.04 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 0.728 . . . . 1.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 150.87 171.03 18.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 1.0 110.971 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.654 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.51 -42.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 1.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.2 mm-40 -36.63 -64.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 1.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.468 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 1.2 ttp -82.83 -44.31 15.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . . . -49.05 -23.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 1.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.654 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 46.5 m170 -102.93 -52.65 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 1.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.29 -138.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 1.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 2.9 ttmm -85.99 48.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 1.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -106.88 -62.8 0.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 1.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.7 m -116.88 -56.08 2.3 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.304 -0.998 . . . . 1.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.671 ' CE ' HMC3 ' A' ' 103' ' ' HEM . 0.1 OUTLIER -61.5 -20.61 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.16 -57.32 10.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 1.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.621 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 22.2 t -85.82 30.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.465 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 20.3 m170 -123.27 -67.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 109.555 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -54.49 -47.54 72.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -46.59 -30.63 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.495 ' SD ' HMD3 ' A' ' 102' ' ' HEM . 15.9 mtp -99.47 -20.08 16.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? 69.12 50.64 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -164.61 134.96 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.4 175.69 18.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.515 1.134 . . . . 1.0 111.052 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -65.85 98.11 0.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.336 3.357 . . . . 1.0 109.587 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 p -109.11 -9.53 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.424 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.7 163.26 12.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 1.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.94 -4.51 50.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 1.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -103.06 5.19 49.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 1.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.63 -43.75 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 1.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.446 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -86.32 -52.18 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 108.317 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.464 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.3 m-70 -89.69 82.49 6.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.69 86.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tptt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 1.0 109.261 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.629 ' C4B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.668 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.671 HMC3 ' CE ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.51 -24.03 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.48 -176.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.479 HG22 ' CE2' ' A' ' 6' ' ' PHE . 3.7 mt -154.19 131.81 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 1.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.479 HG12 ' OD1' ' A' ' 12' ' ' ASP . 19.6 t -115.29 142.11 29.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.479 ' CE2' HG22 ' A' ' 4' ' ' ILE . 92.6 m-85 -122.67 97.62 5.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -40.17 122.89 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 1.0 109.237 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -126.6 151.99 47.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 1.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -86.71 13.9 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.229 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -145.96 23.46 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.785 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 110.73 134.12 6.57 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.118 . . . . 1.0 111.045 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.479 ' OD1' HG12 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -51.91 140.9 18.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 1.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 13' ' ' VAL . 3.1 t -106.72 93.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 142.1 57.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.65 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 10.2 t80 -146.55 110.5 4.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.775 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 19.2 Cg_exo -64.72 94.13 0.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.306 3.337 . . . . 1.0 109.601 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.453 ' CE1' HE21 ' A' ' 21' ' ' GLN . 35.1 t-80 -71.55 -57.95 3.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.616 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -58.75 -40.56 84.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.243 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.775 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -62.02 -51.15 69.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -64.49 -13.72 53.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 1.0 109.56 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.534 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.8 mm-40 -84.27 -12.27 54.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 1.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -21.46 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.87 -46.23 11.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 1.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.638 HG13 ' HD2' ' A' ' 25' ' ' PRO . 91.4 t -108.71 138.72 20.36 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.638 ' HD2' HG13 ' A' ' 24' ' ' VAL . 67.0 Cg_endo -82.72 -98.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.375 3.384 . . . . 1.0 109.601 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.483 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 26.7 t70 -39.6 126.79 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.573 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 72.9 m -91.03 -21.13 21.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -50.75 -24.47 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 1.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -62.98 -25.63 68.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 84.7 m -114.88 -38.26 3.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 108.306 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.532 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 95.6 m-70 -110.94 73.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -37.81 88.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.1 40.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.04 150.05 2.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 1.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.532 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 77.3 Cg_exo -46.2 134.79 15.29 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.29 3.327 . . . . 1.0 109.564 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.4 -173.98 25.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 1.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 156.13 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -112.67 98.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 1.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.86 101.12 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.69 -3.3 6.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 1.0 111.039 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -61.92 166.81 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 1.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 141.35 172.57 13.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 1.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.69 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.33 -42.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 1.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' GLY . 14.4 mt-10 -37.25 -73.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 1.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.489 ' HG3' ' CA ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -71.91 -50.68 27.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.986 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.97 -27.16 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.69 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 48.4 m170 -99.74 -57.04 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 1.0 109.586 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.23 -143.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.551 1.157 . . . . 1.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -79.6 53.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 0.719 . . . . 1.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.489 ' CA ' ' HG3' ' A' ' 45' ' ' MET . . . -112.0 -63.65 0.48 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 1.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.6 m -119.25 -50.81 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HE2' ' CHC' ' A' ' 103' ' ' HEM . 1.3 mttp -63.24 -26.21 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.6 -43.95 83.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.536 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 1.0 OUTLIER -89.47 19.14 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.28 -1.007 . . . . 1.0 108.28 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 40.5 m170 -119.75 -68.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.624 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -49.53 -44.77 46.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -42.8 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 1.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mtt -97.93 -15.89 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 1.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.2 49.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.69 130.44 10.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.2 176.92 17.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.479 1.112 . . . . 1.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 35.7 Cg_endo -64.33 99.69 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 124.331 3.354 . . . . 1.0 109.562 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -108.9 -10.37 15.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 1.0 110.419 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -100.3 163.23 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -5.6 54.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 1.0 108.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.45 1.35 58.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 1.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -105.5 -45.09 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 1.0 110.287 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.437 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.7 m -86.81 -53.45 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 108.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.6 m-70 -89.07 79.6 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 1.0 109.567 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -171.52 71.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 109.259 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.593 ' CMB' HBB2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.65 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.583 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -45.26 -24.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' N ' ' C ' ' A' ' 1' ' ' ALA . 6.5 t70 -54.06 -176.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.431 HG22 ' CE2' ' A' ' 6' ' ' PHE . 4.6 mt -153.83 131.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.418 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 21.9 t -115.14 139.64 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.431 ' CE2' HG22 ' A' ' 4' ' ' ILE . 92.2 m-85 -120.18 106.44 11.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 1.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -46.3 128.77 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 1.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -131.2 146.82 52.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 1.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.04 10.93 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -143.87 21.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.828 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.69 131.85 5.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.147 . . . . 1.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -49.54 149.7 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 1.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 13' ' ' VAL . 3.9 t -116.39 90.39 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 142.9 58.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.659 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 8.9 t80 -147.76 108.69 3.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 1.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.763 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.2 Cg_exo -63.42 93.21 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.267 3.311 . . . . 1.0 109.616 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 32.6 t-80 -70.5 -57.87 4.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.611 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -58.56 -41.26 85.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 1.0 109.344 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -61.79 -50.69 71.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 1.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -65.03 -14.28 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 1.0 109.61 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.511 ' NE2' ' C4B' ' A' ' 101' ' ' HEM . 7.8 mm-40 -82.95 -12.43 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 1.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.94 -21.56 12.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 1.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.4 -46.74 9.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 1.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.463 HG21 ' CBC' ' A' ' 102' ' ' HEM . 77.2 t -111.65 101.55 51.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.12 -70.48 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.346 . . . . 1.0 109.608 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -57.11 125.01 20.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.588 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 82.0 m -92.75 -24.55 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 108.325 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -49.84 -23.33 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 1.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -26.82 68.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 1.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 91.9 m -114.66 -37.94 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 108.257 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -109.74 66.01 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 1.0 109.615 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -40.28 94.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -94.89 38.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 1.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.19 164.75 22.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 1.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -54.88 161.45 6.28 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.285 3.323 . . . . 1.0 109.6 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.52 -171.86 14.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 1.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 164.12 20.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.479 HD12 ' O1D' ' A' ' 101' ' ' HEM . 19.4 mt -114.56 87.14 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 1.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.17 100.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.69 -5.44 5.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.437 1.086 . . . . 1.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.78 168.86 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.06 175.77 14.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 1.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.676 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -32.83 -39.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 1.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -36.57 -77.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.467 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.1 ttm -73.89 -47.32 38.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 1.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -43.51 -26.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 1.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.676 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 54.9 m170 -99.95 -57.79 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 109.631 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.14 -142.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 1.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 4.3 mmtt -79.77 53.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 1.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.24 -62.78 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 1.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 m -121.28 -52.75 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HG2' HBC2 ' A' ' 103' ' ' HEM . 11.5 mtmt -61.24 -28.12 68.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 1.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.87 -42.03 93.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 1.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.535 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 0.8 OUTLIER -90.21 18.44 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.5 m170 -119.75 -69.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 1.0 109.575 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -50.63 -43.92 57.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -43.93 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.61 -13.28 19.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 67.16 47.82 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -150.56 123.78 8.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.07 177.31 16.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 1.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.17 100.76 0.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.308 3.338 . . . . 1.0 109.607 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 p -109.81 -7.17 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.388 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.534 ' O ' HMC3 ' A' ' 103' ' ' HEM . 10.0 mmtt -102.97 164.45 11.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -9.23 59.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 108.308 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.86 1.05 61.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 1.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -43.18 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 1.0 110.364 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.429 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.6 m -87.4 -54.43 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 1.0 108.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.451 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.2 m-70 -87.11 75.18 9.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.605 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.29 80.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.588 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.659 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.598 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.37 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 109.342 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -61.84 -177.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 1.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 7.8 mt -157.44 133.53 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 t -118.58 135.6 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -116.83 103.14 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 1.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -44.96 129.89 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 1.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -138.09 149.73 46.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -85.54 13.1 7.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -140.5 20.14 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.653 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 110.1 134.02 6.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.127 . . . . 1.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.2 138.16 32.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 1.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.553 ' O ' HG12 ' A' ' 13' ' ' VAL . 4.0 t -104.41 90.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 1.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 142.27 58.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.619 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 13.6 t80 -143.4 112.58 5.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 1.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.763 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 19.0 Cg_exo -64.59 96.0 0.24 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.292 3.328 . . . . 1.0 109.626 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -70.24 -55.44 9.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.61 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.2 ttmm -62.72 -51.1 68.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 1.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.67 -44.41 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.426 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 19.2 m80 -70.26 -21.33 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.2 mm-40 -76.39 -12.7 60.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -104.35 -28.56 11.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.22 -48.98 11.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.494 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.4 t -103.64 135.34 19.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.494 ' HD2' HG13 ' A' ' 24' ' ' VAL . 69.5 Cg_endo -82.85 -97.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.37 3.38 . . . . 1.0 109.584 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.485 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 20.8 t0 -42.88 124.44 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.268 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.587 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 80.1 m -85.84 -21.22 28.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 1.0 108.313 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -50.22 -22.83 1.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 1.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -63.26 -28.84 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.8 m -113.25 -36.48 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.538 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.2 m-70 -112.58 70.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 109.561 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.28 96.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.68 40.3 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.95 150.61 2.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 1.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.538 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 75.6 Cg_exo -46.05 149.47 2.32 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.335 3.357 . . . . 1.0 109.604 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.67 -157.38 25.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 1.0 111.037 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.37 162.8 24.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 1.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.83 86.8 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.14 102.02 0.77 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 1.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.54 -10.05 5.82 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.539 1.149 . . . . 1.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 37.2 t80 -55.36 161.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 1.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 149.42 172.08 18.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 1.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.642 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 1.4 ptpt -31.22 -42.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 1.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' GLY . 23.8 mt-10 -37.09 -69.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.464 ' CG ' ' HA3' ' A' ' 50' ' ' GLY . 0.5 OUTLIER -76.91 -47.39 21.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 111.022 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.73 -23.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.642 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 56.8 m170 -101.92 -55.28 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 109.619 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.61 -142.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 1.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 6.8 pttp -82.16 50.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 1.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 45' ' ' MET . . . -109.32 -63.2 0.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 1.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 m -117.44 -57.36 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.669 ' CE ' HMC3 ' A' ' 103' ' ' HEM . 0.2 OUTLIER -59.7 -23.42 63.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.462 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.45 -48.38 57.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 1.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.552 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 4.5 t -89.14 23.35 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 34.0 m170 -120.76 -68.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -52.7 -45.71 67.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 1.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.38 -42.73 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 1.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.09 -15.66 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 1.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.95 47.1 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.3 126.21 10.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 1.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.82 178.84 17.37 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 1.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.427 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 60.8 Cg_endo -67.69 100.34 0.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.283 3.322 . . . . 1.0 109.613 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -109.92 -9.84 14.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 110.373 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.68 163.34 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -5.33 52.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 108.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.97 3.73 55.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.157 . . . . 1.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -108.64 -45.57 3.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 1.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -85.09 -52.1 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 108.291 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.452 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.0 m-70 -90.36 84.23 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 109.57 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -172.81 88.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.616 ' CMB' HBB2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.619 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.669 HMC3 ' CE ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.336 -0.616 . . . . 1.0 109.336 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -49.2 -25.38 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.444 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 6.1 t70 -64.32 -176.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.8 mt -155.62 132.14 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 t -116.32 139.5 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -119.39 105.06 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.26 127.91 11.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -135.64 145.37 46.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.33 9.61 10.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 11.3 t30 -136.1 15.95 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.806 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 116.4 134.62 5.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 1.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.97 139.08 47.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 1.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.401 HG11 HMD3 ' A' ' 103' ' ' HEM . 7.4 t -108.6 99.72 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 1.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 147.49 43.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.727 ' CD2' HBB2 ' A' ' 102' ' ' HEM . 3.5 t80 -149.86 108.23 3.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.753 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 19.5 Cg_exo -64.57 99.75 0.32 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.308 3.339 . . . . 1.0 109.575 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -72.39 -54.55 9.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 1.0 109.604 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.8 ttpt -65.48 -52.59 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.753 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -46.33 -45.25 17.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.469 ' ND1' ' O ' ' A' ' 16' ' ' PRO . 18.5 m80 -67.18 -28.14 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 9.3 mm-40 -68.9 -12.06 61.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 1.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.46 -30.67 9.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.37 -46.73 13.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 1.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.621 HG13 ' HD2' ' A' ' 25' ' ' PRO . 99.1 t -102.86 138.97 19.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.621 ' HD2' HG13 ' A' ' 24' ' ' VAL . 37.4 Cg_endo -86.21 -101.63 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.319 3.346 . . . . 1.0 109.628 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.482 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 14.8 t70 -41.17 131.34 2.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.566 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 80.8 m -91.97 -23.12 19.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 108.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -49.14 -24.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' CE ' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -61.45 -31.82 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.3 m -108.36 -36.31 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 108.323 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' CE1' ' ND ' ' A' ' 101' ' ' HEM . 87.0 m-70 -113.15 61.12 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 1.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -41.8 93.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 34.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.44 159.84 26.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 1.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -53.49 153.71 17.3 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.271 3.314 . . . . 1.0 109.566 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.86 -178.71 16.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 1.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 174.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 1.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.987 HD12 ' O2D' ' A' ' 101' ' ' HEM . 26.2 mt -126.15 92.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.25 102.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.46 -7.79 5.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.142 . . . . 1.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.414 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 86.6 t80 -57.57 167.4 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 1.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 139.33 175.21 13.98 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.453 1.096 . . . . 1.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.694 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -33.32 -39.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 1.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -36.95 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.471 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.1 ttm -75.72 -46.8 29.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.85 -27.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.694 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 53.0 m170 -98.88 -59.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 109.556 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -59.33 -141.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.143 . . . . 1.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -79.51 53.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 1.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.471 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -113.01 -61.53 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 1.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 33.5 m -122.69 -53.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -60.61 -30.58 69.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 1.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -64.88 -40.03 96.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 1.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.575 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 0.6 OUTLIER -90.63 18.72 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.287 -1.005 . . . . 1.0 108.287 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -119.67 -69.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -49.29 -42.36 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.97 -46.88 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 1.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -10.17 25.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 1.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp 63.37 45.94 4.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.248 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HB3' ' CBD' ' A' ' 102' ' ' HEM . 2.7 mtmt -146.18 126.38 13.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.02 179.49 17.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 1.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.448 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 47.6 Cg_endo -66.52 104.16 0.75 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.306 3.337 . . . . 1.0 109.545 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.7 p -111.59 -2.83 15.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 110.421 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' O ' HMC3 ' A' ' 103' ' ' HEM . 2.2 mmmt -107.51 164.84 11.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 1.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -8.99 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 108.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.16 -0.13 63.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 2.5 tp10 -103.38 -43.37 5.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 1.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.437 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.8 m -87.94 -54.03 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 108.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.45 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 97.4 m-70 -88.52 73.91 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 1.0 109.587 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' LYS . 6.5 tttt -167.12 75.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.987 ' O2D' HD12 ' A' ' 38' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.727 HBB2 ' CD2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.569 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.567 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 4.0 m-20 87.88 -25.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.3 t70 -64.7 -176.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 3.5 mt -154.74 131.14 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.1 t -117.61 136.63 54.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 4' ' ' ILE . 97.0 m-85 -117.03 107.56 14.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.0 131.78 12.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.875 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -137.65 146.63 44.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 1.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 11.53 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 2.4 t30 -141.84 20.63 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 1.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.875 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.96 135.5 6.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 1.0 111.038 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.59 141.58 47.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 1.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.4 HG11 HMD3 ' A' ' 103' ' ' HEM . 9.5 t -108.63 98.24 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 1.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 146.54 47.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.66 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 10.1 t80 -149.15 109.08 3.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.729 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 22.9 Cg_exo -63.29 90.29 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.365 3.377 . . . . 1.0 109.576 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -65.19 -54.13 34.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.642 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.8 tttt -63.09 -55.84 21.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 1.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.729 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -45.27 -49.68 12.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 22.2 m80 -63.13 -29.65 70.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 1.0 109.628 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.614 ' OE1' ' C4B' ' A' ' 101' ' ' HEM . 0.0 OUTLIER -70.41 -12.72 61.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 1.0 110.328 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 -24.43 14.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.15 -50.06 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.58 HG13 ' HD2' ' A' ' 25' ' ' PRO . 60.1 t -97.66 138.39 21.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.58 ' HD2' HG13 ' A' ' 24' ' ' VAL . 40.6 Cg_endo -85.93 -100.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.3 3.334 . . . . 1.0 109.612 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.491 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 14.5 t70 -41.36 131.95 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 109.296 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.584 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 77.0 m -90.79 -23.84 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 1.0 108.33 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -47.98 -24.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' CYS . 6.4 mmpt? -59.82 -33.71 72.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 1.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.86 -35.04 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 108.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -111.39 58.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 1.0 109.545 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -52.97 -40.75 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 1.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -94.21 42.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 1.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.85 161.68 5.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.519 1.137 . . . . 1.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.569 ' HB3' HMB3 ' A' ' 101' ' ' HEM . 10.9 Cg_endo -50.66 161.17 1.4 Allowed 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.325 3.35 . . . . 1.0 109.643 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.08 164.66 13.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 1.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.28 168.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 1.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.4 mt -114.7 99.58 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.56 53.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.26 35.2 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.115 . . . . 1.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 68.7 t80 -99.43 170.34 8.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 1.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 137.47 169.37 11.61 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.556 1.16 . . . . 1.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.652 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.42 -42.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 1.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -35.71 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 1.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.464 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.7 ttm -74.0 -48.04 33.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.17 -25.3 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 1.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.652 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 57.5 m170 -100.95 -57.55 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.94 -143.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 1.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 5.6 mttp -79.74 53.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 1.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.464 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.5 -62.16 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 1.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 m -120.28 -54.89 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.765 ' HE3' HMC2 ' A' ' 103' ' ' HEM . 0.2 OUTLIER -60.96 -25.05 66.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.42 -46.9 74.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 1.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.619 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 5.4 t -89.92 24.38 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.296 -1.001 . . . . 1.0 108.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.473 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 31.1 m170 -121.32 -69.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 1.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.8 mt-10 -50.28 -47.0 55.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.54 -43.32 1.84 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 1.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.18 -18.25 20.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER 69.96 51.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.71 129.49 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.18 178.09 17.13 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.529 1.143 . . . . 1.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 50.8 Cg_endo -66.94 94.38 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.328 3.352 . . . . 1.0 109.582 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 p -103.38 -14.33 16.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 1.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 164.08 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -79.2 -7.78 58.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.22 3.19 59.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 1.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -107.35 -45.68 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 1.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.427 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -85.01 -53.57 5.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 108.288 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.447 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 99.3 m-70 -87.62 79.82 8.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.603 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 71' ' ' LYS . 4.6 ttpt -118.21 -112.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' N ' ' HG2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 1.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.614 ' C4B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.66 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.765 HMC2 ' HE3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -23.55 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.414 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.9 t70 -62.3 -176.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.43 HG22 ' CE2' ' A' ' 6' ' ' PHE . 4.0 mt -154.65 130.29 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 1.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.499 HG12 ' OD1' ' A' ' 12' ' ' ASP . 15.7 t -115.63 137.1 50.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.43 ' CE2' HG22 ' A' ' 4' ' ' ILE . 94.8 m-85 -117.95 108.02 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -48.09 130.33 15.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.877 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -135.07 148.23 49.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 1.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.74 13.0 7.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 1.1 t30 -144.72 22.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 1.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.877 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 112.9 135.39 6.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 1.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.499 ' OD1' HG12 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -56.72 143.33 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.754 . . . . 1.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.411 HG11 HMD3 ' A' ' 103' ' ' HEM . 6.1 t -110.13 97.8 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.55 144.72 49.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.615 ' CD1' ' C2B' ' A' ' 102' ' ' HEM . 11.5 t80 -146.8 109.3 4.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 1.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.756 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 21.1 Cg_exo -64.1 86.73 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.347 3.365 . . . . 1.0 109.623 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -62.75 -54.17 43.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 1.0 109.583 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -62.18 -54.85 35.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 109.246 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.756 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -47.88 -44.96 29.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.422 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 20.2 m80 -68.58 -26.28 65.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 1.0 109.577 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 8.0 mm-40 -71.87 -12.71 61.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 1.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.16 -23.59 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.62 -49.89 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 1.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.465 HG13 ' HD2' ' A' ' 25' ' ' PRO . 66.3 t -102.98 134.62 19.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.481 ' HG2' ' H ' ' A' ' 26' ' ' ASP . 70.8 Cg_endo -82.69 -97.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.327 3.352 . . . . 1.0 109.566 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.481 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 19.1 t0 -41.13 122.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 1.0 109.28 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.577 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 78.4 m -86.66 -22.09 26.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 108.301 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -49.12 -24.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.18 -31.06 70.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 82.8 m -112.04 -36.27 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 108.271 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -111.97 62.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.627 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -58.4 -40.5 82.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.91 36.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.89 156.81 10.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.545 1.153 . . . . 1.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.507 ' HB3' HMB3 ' A' ' 101' ' ' HEM . 9.2 Cg_endo -49.89 163.44 0.53 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.271 3.314 . . . . 1.0 109.631 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.53 -155.46 17.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 1.0 111.029 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 170.11 13.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.84 101.05 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.92 51.63 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.23 35.0 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 1.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -98.66 169.82 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.733 . . . . 1.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 138.09 169.92 11.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 1.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.673 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -31.34 -42.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 1.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.6 mt-10 -35.87 -75.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 1.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.472 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 8.7 ttm -72.88 -47.69 43.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 1.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -45.25 -25.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.673 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.2 m170 -100.8 -57.25 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.85 -144.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 1.0 111.013 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 1.6 mtpp -79.07 53.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 1.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -112.42 -62.33 0.45 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 1.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 m -120.46 -53.32 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.276 -1.009 . . . . 1.0 108.276 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 9.9 mtmt -61.35 -26.14 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -67.86 -42.82 85.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 1.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.528 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 1.1 t -90.19 18.89 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.1 m170 -119.53 -70.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.593 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -48.9 -44.59 40.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.72 -43.94 4.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.56 -11.94 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 1.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp 65.42 45.93 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -147.53 125.79 12.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.18 178.21 17.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.453 1.096 . . . . 1.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 57.9 Cg_endo -67.46 98.28 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.281 3.32 . . . . 1.0 109.59 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 p -106.09 -14.79 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 110.42 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 164.79 12.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.51 -7.69 58.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.7 3.53 59.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 1.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -108.0 -42.79 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 1.0 110.319 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.432 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -87.83 -55.14 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 1.0 108.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.438 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 99.1 m-70 -85.73 79.65 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 1.0 109.609 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.39 -110.61 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 1.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.577 ' HHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.615 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.584 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.7 -28.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 1.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.487 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 5.6 t70 -71.23 -176.31 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 5.6 mt -157.18 134.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 1.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.491 HG11 ' OD1' ' A' ' 12' ' ' ASP . 6.7 t -118.57 138.39 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 4' ' ' ILE . 96.0 m-85 -120.13 109.35 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 1.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.09 129.09 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.826 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -135.09 146.06 48.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -86.66 13.56 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 2.3 m-20 -145.76 22.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.826 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.4 133.53 5.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 1.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.491 ' OD1' HG11 ' A' ' 5' ' ' VAL . 2.4 m-20 -54.9 139.45 40.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 1.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.66 ' O ' HG12 ' A' ' 13' ' ' VAL . 3.0 t -103.47 84.33 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 142.3 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CE1' ' C1B' ' A' ' 102' ' ' HEM . 50.9 t80 -148.2 117.81 4.19 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 94.0 Cg_endo -76.63 103.51 1.76 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.297 3.332 . . . . 1.0 109.612 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 21' ' ' GLN . 50.8 t-80 -74.47 -53.28 9.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 109.626 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.9 ttmt -49.67 -39.72 37.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -62.54 -61.34 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.414 ' HE1' ' C4A' ' A' ' 102' ' ' HEM . 50.7 m80 -57.61 -16.31 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.6 ' NE2' ' CHC' ' A' ' 101' ' ' HEM . 2.2 mm-40 -77.8 -14.62 59.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -35.82 4.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.49 -52.62 63.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 1.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.588 HG13 ' HD2' ' A' ' 25' ' ' PRO . 57.3 t -107.92 138.81 20.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 1.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.588 ' HD2' HG13 ' A' ' 24' ' ' VAL . 87.8 Cg_endo -81.91 -93.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.315 3.344 . . . . 1.0 109.608 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.526 ' H ' ' HG2' ' A' ' 25' ' ' PRO . 28.9 t70 -41.96 126.22 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 1.0 109.284 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.584 ' SG ' ' HHC' ' A' ' 101' ' ' HEM . 66.7 m -90.15 -23.48 21.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 1.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -49.82 -21.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 1.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 27' ' ' CYS . 4.0 mmmp? -65.19 -29.49 70.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.2 m -113.63 -35.83 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 108.316 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 92.0 m-70 -112.86 70.71 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 1.0 109.577 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -39.88 92.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' NZ ' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -96.12 41.07 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 1.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' C ' ' HB3' ' A' ' 31' ' ' HIS . . . 74.88 150.4 2.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 1.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.619 ' HB3' HMB1 ' A' ' 101' ' ' HEM . 74.6 Cg_exo -45.34 160.31 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.299 3.333 . . . . 1.0 109.611 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.88 -164.12 18.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 1.0 111.023 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 159.33 32.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 1.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.3 mt -108.39 104.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.411 ' HG2' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -80.36 50.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.63 34.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 1.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -98.08 168.56 10.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 1.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 43' ' ' LYS . . . 139.42 168.78 11.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 1.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.658 ' CB ' ' CE1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -32.14 -40.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 1.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 3.4 mm-40 -36.95 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 1.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.468 ' HG2' ' CA ' ' A' ' 50' ' ' GLY . 7.5 ttm -76.8 -45.1 30.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 52' ' ' LYS . . . -47.15 -24.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.658 ' CE1' ' CB ' ' A' ' 43' ' ' LYS . 55.8 m170 -102.16 -57.62 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 109.646 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 47' ' ' HIS . . . -58.23 -146.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 1.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -78.91 52.84 1.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 1.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' CA ' ' HG2' ' A' ' 45' ' ' MET . . . -111.97 -63.53 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 1.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.5 m -117.67 -51.97 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.549 ' HD3' ' C2C' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -64.12 -23.16 67.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 49' ' ' LYS . . . -66.03 -49.66 56.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 1.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.647 ' HB3' ' C2C' ' A' ' 102' ' ' HEM . 6.0 t -87.87 24.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 28.4 m170 -120.58 -68.89 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.68 -45.59 70.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 1.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -40.83 -43.12 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.04 -13.97 18.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 1.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt 67.19 46.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.77 122.86 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 1.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.51 176.25 16.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 1.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.27 100.7 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.315 3.343 . . . . 1.0 109.626 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.2 p -111.05 -2.02 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 110.409 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' O ' HMC3 ' A' ' 103' ' ' HEM . 3.1 mmtp -108.38 164.55 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -8.9 59.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 1.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.23 4.19 58.53 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 1.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.49 -43.46 4.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 1.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.447 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 1.3 m -87.42 -54.25 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 108.278 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.459 ' CE1' ' ND ' ' A' ' 103' ' ' HEM . 98.5 m-70 -87.22 79.06 8.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 71' ' ' LYS . 33.0 tttt -166.52 73.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 1.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 1.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.935 HMB2 HBB2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.647 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.573 ' C1A' ' HB3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_