data_1a2i_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 1a2i _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.84 15.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 179.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -94.09 168.87 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.96 22.32 59.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.458 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.07 102.03 4.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -112.13 153.87 26.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.19 113.81 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.407 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 2.2 tm-20 -108.19 67.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.16 -10.06 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 p -131.53 176.48 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -64.76 -11.77 40.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.35 99.44 36.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.54 37.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.2 t -143.03 153.92 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 45.9 t -120.8 114.53 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.454 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 63.0 t80 -100.61 165.03 11.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -144.84 138.5 27.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -93.88 -20.19 20.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.554 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -77.12 -3.03 37.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -105.17 -34.83 7.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -99.23 34.66 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.68 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -67.71 -35.82 79.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 p -76.5 -11.77 59.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 t -88.8 143.15 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 137.63 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 m -60.04 -33.09 71.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.8 -4.28 76.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -79.94 -33.4 39.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.45 -55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.281 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -76.4 56.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -41.97 148.67 0.46 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.578 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.499 0.19 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -124.17 176.26 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.33 134.14 33.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -56.72 -44.28 81.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.316 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.87 48.57 3.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -89.25 130.93 35.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.92 102.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.3 -7.82 10.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.7 m -108.74 -92.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -107.11 74.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -135.75 76.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.8 p -107.98 -30.87 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -19.68 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.66 93.31 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -53.25 -40.98 65.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -78.47 0.25 26.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.504 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.3 t60 -99.38 -30.73 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.5 m -87.03 8.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.2 mmt -117.69 -13.36 10.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 12.6 m80 -132.91 -60.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.588 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 2.1 t70 -39.0 132.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.81 -29.55 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -76.41 60.52 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.6 p -122.24 157.39 31.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -64.71 -24.6 67.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -118.54 157.92 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -65.24 125.36 24.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.78 162.19 13.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.6 m -49.05 -66.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 74.6 t -63.64 -35.6 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.49 -59.82 8.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.69 -45.19 91.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.5 m170 -52.86 -44.33 66.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 67.9 t -56.98 -37.67 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -34.12 62.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.03 -53.7 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 97' ' ' LEU . 11.1 mttm . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' CG ' ' OG1' ' A' ' 98' ' ' THR . 1.6 ttpp -64.77 -10.3 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -14.9 20.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -122.7 5.07 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 93' ' ' LYS . 13.5 mt -123.24 -44.75 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.446 ' OG1' ' CG ' ' A' ' 94' ' ' LYS . 19.2 p -119.56 6.09 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.14 144.76 48.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.4 m -81.29 -51.99 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -124.63 140.06 53.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mttt 72.15 46.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.55 -173.58 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 2.8 mmtt -75.08 -29.34 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.6 m -85.15 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.291 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -95.05 132.74 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.597 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 166.2 29.72 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.27 -170.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -101.68 169.22 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.76 21.79 65.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.475 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.91 105.56 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.89 150.88 34.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.64 114.24 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 1.5 tm-20 -108.63 67.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.82 -11.66 23.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -129.37 176.27 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -64.9 -11.69 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.19 99.2 37.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.85 40.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.9 t -140.9 152.42 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.8 t -117.29 118.48 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.445 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 57.6 t80 -107.55 163.26 13.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -141.62 147.38 37.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -101.05 -21.8 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.539 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.71 -4.84 45.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.7 m -102.37 -31.99 10.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -101.78 35.94 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -67.86 -40.73 83.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.7 p -71.41 -13.45 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.8 t -87.4 140.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 139.76 50.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.0 m -62.92 -27.94 69.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 108.297 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.95 -1.12 90.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -82.4 -31.89 29.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.9 -55.43 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 108.269 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -75.38 57.2 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -41.21 148.69 0.39 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.622 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.506 0.193 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -121.89 173.44 7.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 132.22 37.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -57.59 -47.55 81.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.347 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.88 51.5 3.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.9 131.58 42.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.435 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.69 108.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.82 -13.55 13.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m -105.53 -90.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -109.55 70.8 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.646 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -133.01 75.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.7 t -108.2 -25.82 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -70.73 -7.38 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.45 91.73 0.76 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -51.2 -42.14 60.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -78.53 -0.64 30.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.49 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.9 t60 -99.28 -26.75 14.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.635 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -90.74 8.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.2 mmt -118.06 -13.02 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 14.2 m80 -132.49 -61.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.564 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.9 t70 -38.87 132.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -27.97 12.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -76.73 61.18 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.7 p -123.32 157.37 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -64.75 -25.32 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -117.94 157.04 27.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.75 125.75 25.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 p -99.35 157.61 16.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.6 m -43.9 -66.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 108.283 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.477 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 88.9 t -63.46 -35.6 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.7 -59.93 8.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.9 t -63.76 -45.53 89.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -52.56 -44.07 65.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 56.0 t -56.69 -37.78 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -33.58 63.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.4 t -74.19 -51.23 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.465 ' CB ' ' HG3' ' A' ' 94' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' A' ' 97' ' ' LEU . 3.4 mmtm . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -63.91 -11.08 24.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.24 -8.51 14.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -120.95 2.91 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 93' ' ' LYS . 15.8 mt -125.19 -46.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.2 p -114.84 7.75 15.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.5 148.86 46.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.8 m -84.75 -57.44 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.14 139.51 53.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 74.09 42.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -174.08 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' A' ' 96' ' ' ASP . 18.6 mmtm -74.99 -29.91 61.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 52.4 m -83.25 -66.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -94.14 142.94 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.01 34.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.96 -172.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -100.08 159.77 14.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.76 26.34 29.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.92 96.8 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 2.9 tttt -101.73 142.02 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.74 112.18 17.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 10.0 tm-20 -108.84 68.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.0 -9.02 26.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 p -131.9 176.86 8.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -64.62 -11.63 37.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -126.42 101.21 28.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.63 36.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 67.4 t -143.16 152.86 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 43.9 t -118.63 113.8 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -103.52 163.98 11.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -141.44 141.68 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.271 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -95.88 -19.7 19.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.6 -1.7 35.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -105.64 -36.28 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -97.55 33.45 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -41.52 92.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.2 p -70.01 -15.75 63.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -85.23 141.08 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 139.1 49.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.6 m -62.36 -27.4 69.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.06 -1.37 90.3 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -82.77 -32.35 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -105.04 -55.74 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.51 57.26 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -40.43 148.65 0.34 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.627 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.486 0.184 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.4 174.7 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 132.99 35.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.3 -49.23 77.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.306 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.76 51.49 3.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.73 131.83 41.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.83 108.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.11 -13.79 12.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.6 m -105.51 -91.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -109.0 69.66 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -130.53 76.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -105.41 -35.07 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -10.99 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.16 96.95 1.01 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.75 -44.23 73.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -75.75 0.16 18.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.481 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.6 t60 -99.26 -21.87 15.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -96.87 8.9 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.1 mmt -117.42 -14.51 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 7.9 m80 -132.6 -63.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.637 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -37.84 132.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 74' ' ' THR . 19.9 mttp -99.49 -32.74 10.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -69.47 65.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' LYS . 58.4 p -129.88 153.34 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -64.7 -25.44 67.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -115.91 155.71 27.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -64.06 126.29 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.63 161.71 13.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.4 m -47.86 -66.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 98.0 t -63.56 -37.84 80.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.91 -59.22 8.3 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 45.0 t -63.72 -45.85 88.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.2 m170 -52.62 -44.09 65.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.633 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 69.1 t -56.31 -38.51 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -33.82 62.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.1 t -73.23 -52.47 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.357 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 90.0 mttt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -9.38 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.64 -10.53 12.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.46 -3.5 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 93' ' ' LYS . 17.9 mt -121.9 -46.68 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 p -115.03 15.1 17.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.16 152.56 46.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.35 -50.38 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.11 139.73 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp 70.91 45.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.6 -172.63 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -74.4 -30.75 62.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.8 m -83.42 -63.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -97.96 141.1 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.597 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 173.32 14.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 159.06 15.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -77.42 163.08 26.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.21 25.24 34.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.476 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.96 98.25 3.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 2.1 ttpm? -103.61 143.74 32.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.21 103.92 9.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 1.6 tm-20 -102.21 65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.22 -10.39 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -132.67 176.58 8.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.32 -14.36 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -119.53 98.56 50.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.8 42.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -139.91 145.56 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 47.4 t -111.85 117.65 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -106.39 149.5 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -127.16 137.86 53.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -91.49 -27.05 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 m -74.23 -3.06 27.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.0 m -102.83 -30.85 10.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.444 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -102.49 34.92 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.608 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -65.1 -43.29 92.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.2 p -69.17 -8.04 41.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.2 140.43 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.04 142.03 45.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -63.06 -30.93 71.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 108.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.74 -3.83 84.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -80.89 -31.63 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 m -107.65 -55.07 2.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.33 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -76.33 56.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.571 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -41.68 148.54 0.44 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.568 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.492 0.187 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.08 174.64 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.31 131.46 35.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.5 m -56.95 -46.46 82.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.25 49.03 3.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -93.82 132.83 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.421 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.71 111.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.86 -16.11 18.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.3 m -103.8 -91.61 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -109.07 74.1 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.643 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -135.75 75.76 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 t -107.1 -32.38 7.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -65.09 -22.9 67.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.49 94.27 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -54.72 -41.86 70.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.5 t80 -76.97 -0.0 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.466 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.0 t60 -100.25 -18.76 16.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.59 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -99.34 8.82 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.0 mmt -117.45 -13.15 10.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.9 m80 -133.51 -63.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -38.54 132.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.25 -32.31 10.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -71.41 67.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.8 p -130.45 156.27 45.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.369 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -64.97 -24.27 67.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -118.96 156.7 29.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -64.01 127.02 29.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 p -99.32 156.91 16.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.7 m -43.36 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 108.282 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.513 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 97.4 t -63.34 -37.61 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.67 -59.96 7.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.49 -44.91 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.5 m170 -52.79 -44.07 66.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 83.2 t -55.92 -41.98 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 -34.45 62.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.34 -52.04 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.551 ' O ' ' N ' ' A' ' 97' ' ' LEU . 20.5 mttt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' O ' ' OG1' ' A' ' 98' ' ' THR . 18.4 tttm -66.91 -8.57 30.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -119.53 -8.46 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.232 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.1 -22.08 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 93' ' ' LYS . 19.8 mt -108.01 -47.56 3.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 29.9 p -108.43 16.76 22.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.89 147.68 50.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 9.9 m -85.92 -62.2 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -119.79 139.04 52.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 71.6 49.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.16 -171.22 2.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -74.68 -27.98 60.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 70.8 m -86.07 -63.63 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 108.292 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -96.69 130.1 43.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.58 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 165.1 32.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.69 -177.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.94 169.54 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.15 21.7 62.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.473 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.91 101.95 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 0.728 . . . . 0.0 109.36 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' NZ ' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -112.0 148.23 34.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.1 114.58 21.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 6.1 tm-20 -110.02 68.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.07 -12.19 22.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.7 p -130.47 176.12 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -65.08 -10.95 34.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.39 95.85 44.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.96 34.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -145.68 153.55 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.408 ' CG2' ' NZ ' ' A' ' 10' ' ' LYS . 50.5 t -117.63 114.53 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.461 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 52.7 t80 -99.8 163.85 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -144.67 136.65 25.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -92.69 -18.08 23.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.569 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.407 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 3.7 t -79.37 -2.23 40.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 m -106.15 -35.3 7.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -98.71 34.11 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 11.0 mtpt -67.97 -36.04 79.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.8 p -74.92 -13.81 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.1 t -87.9 142.96 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.74 139.81 47.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.1 m -62.32 -27.69 69.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.88 -1.2 90.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -84.37 -25.03 29.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.41 -55.37 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -76.64 55.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -40.36 148.61 0.33 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 110.96 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.5 0.19 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.09 174.46 6.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.76 135.03 35.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.45 -49.64 76.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 108.324 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.66 51.67 3.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.74 131.87 41.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.92 107.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.14 -14.01 11.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.3 m -106.15 -93.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -105.95 68.94 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -130.26 75.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 t -110.78 -24.18 10.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -70.64 -7.35 43.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.64 91.92 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -50.31 -41.08 50.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.5 t80 -79.38 0.08 30.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.457 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.2 t60 -101.28 -15.04 17.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.5 m -103.47 7.93 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.245 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.3 mmt -115.78 -16.53 11.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 71' ' ' ASP . 5.8 m80 -132.62 -62.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.555 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -38.94 119.88 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 74' ' ' THR . 3.7 mttp -85.57 -38.97 17.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.19 79.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 72' ' ' LYS . 40.6 p -143.5 155.62 44.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -24.14 67.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -118.85 158.61 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -66.3 128.09 34.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 p -97.17 161.19 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 59.0 m -48.66 -66.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 77.1 t -63.82 -36.88 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.26 -58.75 9.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.49 -45.16 92.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.7 m170 -52.61 -44.15 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 93.5 t -55.89 -37.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -34.33 62.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.3 t -73.29 -53.65 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 97' ' ' LEU . 5.7 mttp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -64.21 -10.2 21.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.91 -7.14 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.28 -0.05 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 93' ' ' LYS . 16.0 mt -125.31 -49.19 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.9 p -110.86 10.81 22.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.09 150.11 46.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.6 m -88.77 -49.43 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -128.5 137.89 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 72.53 45.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.32 -172.49 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -74.43 -29.77 61.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 57.0 m -85.94 -67.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 108.346 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -94.79 128.43 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.573 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.34 22.84 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.82 175.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.04 169.84 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.99 26.43 58.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.09 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.48 99.85 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 1.3 ttmp? -105.61 143.56 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.72 111.89 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 2.9 tm-20 -107.64 67.62 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.71 -11.57 24.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.8 p -129.72 176.98 7.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -64.45 -11.64 35.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -125.85 102.21 28.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 159.92 40.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 55.0 t -140.97 148.57 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 48.5 t -114.54 117.44 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -107.09 161.41 14.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -139.33 141.42 37.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -96.03 -18.77 19.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -79.81 -1.33 38.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.957 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -106.07 -37.3 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -96.68 33.06 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -65.28 -38.54 90.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -11.98 60.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.955 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.5 140.19 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -71.26 139.3 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 m -61.74 -31.61 71.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.57 -4.27 80.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.09 -34.92 43.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.4 m -104.9 -54.84 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.61 56.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.621 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -43.38 149.33 0.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.557 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.526 0.203 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -157.33 177.49 11.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.1 130.8 34.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -57.74 -46.06 84.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.332 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.62 51.9 3.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -94.65 131.78 40.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.384 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.82 105.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.32 -11.04 10.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.22 -93.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -105.86 66.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.69 74.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.1 p -102.02 -34.01 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -65.06 -15.52 62.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.87 91.98 0.28 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -51.02 -39.47 55.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -80.38 -1.04 39.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -100.43 -14.29 18.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.602 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 m -104.13 8.71 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.0 mmt -118.44 -9.04 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' ASP . 8.7 m80 -137.37 -62.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -37.58 126.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 -29.13 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -76.25 65.99 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 p -127.89 158.02 38.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -64.64 -24.67 67.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -121.16 154.65 35.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -62.26 126.29 26.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.31 161.32 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 59.8 m -45.24 -65.14 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.458 ' HA ' ' HB2' ' A' ' 83' ' ' HIS . 77.9 t -63.43 -49.39 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -39.78 -58.21 2.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 38.3 t -63.13 -47.81 81.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 15.1 m170 -51.71 -44.05 63.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.651 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.37 -39.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -34.33 61.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -72.17 -51.62 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 97' ' ' LEU . 28.9 mtmt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -10.4 25.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -7.96 10.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 0.9 OUTLIER -115.34 -3.99 12.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.555 ' N ' ' O ' ' A' ' 93' ' ' LYS . 26.9 mt -124.24 -47.93 1.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.2 p -112.31 15.04 20.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.03 163.86 10.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -104.91 -41.21 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -138.16 140.0 39.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.7 40.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -172.07 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 12.4 mmtm -74.51 -29.8 61.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.5 m -84.85 -64.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 108.31 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -95.68 124.67 39.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 174.66 12.41 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.55 159.94 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -80.94 173.13 12.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.1 29.22 62.91 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.429 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.8 98.25 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 2.0 ttpt -101.94 142.37 33.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.17 107.3 11.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 9.6 tm-20 -105.52 66.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.53 -13.03 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.2 p -132.02 178.04 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -15.55 60.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -119.33 96.39 49.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.33 41.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 19' ' ' VAL . 68.8 t -139.6 153.51 23.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 40.5 t -119.72 115.61 48.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -107.51 137.99 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -120.79 117.38 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -67.05 -24.3 65.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -5.04 31.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.0 m -103.64 -32.93 9.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -102.13 36.08 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -68.86 -39.2 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.6 p -70.86 -14.61 62.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -88.12 143.0 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 145.27 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -65.48 -32.12 73.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.66 -4.69 76.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -80.65 -35.17 34.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.2 m -104.88 -55.39 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -77.08 66.66 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 32.6 p80 -55.91 148.31 38.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.654 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.461 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 1.8 m-85 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.465 0.174 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 168.37 17.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.48 133.74 38.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.88 -52.02 66.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.56 53.02 2.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -98.01 132.71 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.398 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.65 111.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.29 -16.98 17.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.53 -94.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -105.19 69.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.61 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -129.4 76.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -111.06 -22.11 11.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -64.53 -19.45 65.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.57 90.01 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.404 ' CE1' ' HE2' ' A' ' 69' ' ' MET . 56.3 t80 -50.43 -37.52 38.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 3.5 t80 -80.11 1.83 26.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -107.8 -2.81 19.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.558 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.05 5.64 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.404 ' HE2' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -120.17 -7.74 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 71' ' ' ASP . 23.3 m80 -132.49 -63.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.62 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' HIS . 1.6 t70 -38.65 142.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HE2' ' CG2' ' A' ' 84' ' ' VAL . 20.5 mttt -110.09 -27.89 8.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -77.92 61.04 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.1 p -123.24 154.74 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.19 -26.15 68.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 77.8 m-85 -115.44 155.83 26.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -63.53 123.47 18.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.1 160.17 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.9 m -49.45 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 108.328 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.509 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 90.5 t -63.52 -36.98 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.41 -59.73 8.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.29 -44.95 93.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.6 m170 -53.02 -44.52 67.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 80.9 t -56.88 -37.22 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -34.06 62.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.5 -53.75 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' LEU . 2.2 mttp . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.417 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -67.99 -9.12 43.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -125.01 -5.05 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.89 -23.0 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 93' ' ' LYS . 43.6 mt -109.27 -30.29 8.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 21.1 p -127.55 21.36 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.453 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.18 144.48 34.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.8 m -83.43 -52.48 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -126.97 132.85 50.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 77.07 51.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.68 -173.6 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -74.62 -30.06 61.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 85.7 m -83.66 -63.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -102.12 145.34 29.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 165.13 31.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.571 1.827 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.59 162.99 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -81.99 164.23 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.21 25.28 34.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.427 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -75.17 92.1 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 10.5 tttm -92.39 146.11 23.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.15 104.03 6.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 1.7 tm-20 -103.95 65.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.67 -15.51 42.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 p -127.94 179.88 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -64.54 -11.44 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.78 101.77 39.13 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.86 38.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -144.63 152.46 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 51.1 t -123.38 113.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.636 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 59.3 t80 -100.1 173.85 6.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -147.11 139.83 24.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -96.29 -14.05 22.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.59 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 p -85.24 -4.51 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 m -103.79 -32.99 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.636 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 60.5 m80 -100.13 34.87 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.609 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -68.07 -36.67 80.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -12.57 60.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 t -87.36 141.37 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.0 133.77 45.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 m -57.14 -30.87 64.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 108.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.63 -4.06 87.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -79.25 -30.25 43.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.48 -53.95 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 108.315 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -78.23 54.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -42.11 149.45 0.43 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.632 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.973 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.496 0.189 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 172.18 8.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.69 136.32 35.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.66 -50.43 73.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 108.298 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.48 51.61 3.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -94.55 131.77 39.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 110.436 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.73 105.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.01 -10.51 11.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m -108.77 -94.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -105.02 68.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.559 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -131.27 74.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.4 p -113.35 -34.62 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -65.32 -16.67 63.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.05 93.59 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -53.15 -39.87 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.747 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -81.26 1.06 34.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.493 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.4 t60 -100.54 -24.03 14.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.0 m -94.31 8.64 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.9 mmt -118.18 -12.44 10.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.2 m80 -134.54 -62.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.625 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.8 OUTLIER -37.93 119.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -26.1 20.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -79.62 71.1 6.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.6 p -132.89 159.01 41.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -65.45 -25.65 67.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -118.59 156.95 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -63.61 127.16 30.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 p -98.48 160.95 13.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.4 m -47.38 -67.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 108.326 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.504 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 72.2 t -63.9 -35.21 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.78 -58.99 9.86 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.78 -44.39 93.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.6 m170 -53.14 -44.49 67.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 76.3 t -56.76 -37.42 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -33.89 62.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.6 t -74.71 -55.35 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 97' ' ' LEU . 16.2 mmtt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.449 ' CG ' ' OG1' ' A' ' 98' ' ' THR . 8.3 ttpt -64.34 -10.77 26.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.82 -14.8 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.508 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -121.13 4.52 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 93' ' ' LYS . 14.4 mt -123.8 -47.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.449 ' OG1' ' CG ' ' A' ' 94' ' ' LYS . 22.4 p -115.54 6.84 14.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.29 141.43 46.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 15.4 m -78.78 -49.81 12.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -124.65 142.73 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt 67.92 48.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 p -122.19 -175.16 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 4.0 mmtt -74.84 -28.24 60.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.9 m -85.44 -69.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.287 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -92.83 139.23 30.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.549 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.25 23.02 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.56 177.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.68 173.06 7.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.96 23.69 68.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.461 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.32 100.6 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -109.82 153.74 23.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.23 116.98 19.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.407 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 4.8 tm-20 -110.42 67.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.1 -14.59 22.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 p -126.57 177.35 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -65.27 -11.25 39.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.95 100.84 33.08 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.31 39.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.564 1.823 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.8 t -141.87 154.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 47.7 t -120.32 114.76 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -101.41 163.36 12.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -142.97 139.25 30.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.307 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -94.96 -20.74 19.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.409 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -76.79 -1.23 27.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.039 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 m -106.33 -36.7 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.398 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -97.38 33.49 1.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.409 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 19.7 mtpt -66.95 -36.56 82.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.6 p -74.85 -15.27 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -86.6 143.56 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.32 139.59 46.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 m -62.09 -29.63 70.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 108.368 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.15 -2.79 87.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.11 -33.57 33.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.2 m -105.06 -55.72 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 108.298 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.49 58.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -42.66 149.01 0.5 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.589 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.502 0.191 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -123.28 174.91 7.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 134.4 34.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.59 -48.2 81.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.35 51.08 3.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.58 132.05 41.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.756 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.64 109.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.41 -13.68 15.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.1 m -104.85 -91.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -109.17 69.8 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -131.88 76.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 t -106.78 -28.37 10.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -72.39 -6.11 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.65 93.66 1.26 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -51.97 -41.06 61.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 0.807 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -79.93 -0.48 35.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.4 t60 -99.32 -22.48 15.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 m -96.05 9.4 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.5 mmt -118.58 -11.89 9.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 71' ' ' ASP . 6.9 m80 -136.25 -63.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -36.38 134.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' THR . 1.1 mtpm? -94.17 -43.57 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.93 82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' LYS . 64.1 p -145.03 149.75 35.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -22.55 67.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -119.17 157.82 27.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -67.07 128.23 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.99 162.09 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.6 m -48.79 -66.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 108.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 70.6 t -63.65 -36.36 76.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.22 -59.3 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.1 t -63.43 -45.69 89.76 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -52.92 -44.06 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.591 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 69.0 t -57.1 -37.58 56.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -34.27 61.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.5 t -73.5 -53.98 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 97' ' ' LEU . 2.8 mmtp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -9.5 18.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -19.31 15.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.402 ' O ' HD22 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -113.74 1.39 14.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 93' ' ' LYS . 13.3 mt -122.89 -52.35 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.3 p -109.88 10.84 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.07 147.54 50.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.3 m -84.12 -39.38 19.55 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -136.63 149.35 47.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.01 37.57 9.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.12 -172.57 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -74.6 -28.52 60.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 11.5 m -89.28 -66.99 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -94.7 146.58 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.83 8.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.86 -179.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.99 169.12 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.09 26.14 56.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.449 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.49 98.87 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 3.2 ttpt -104.99 145.89 29.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.16 103.75 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 2.3 tm-20 -101.92 65.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.28 -13.35 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.0 p -131.67 177.32 7.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -63.9 -14.91 57.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.27 97.69 50.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.27 42.41 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.556 1.819 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -141.5 146.34 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 46.0 t -113.14 115.42 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.432 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 81.8 t80 -104.9 162.81 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -141.42 145.78 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -97.53 -24.96 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.597 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 m -73.0 -4.32 31.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.7 m -104.05 -32.66 9.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.423 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -101.44 35.23 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -67.79 -43.76 78.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.1 p -66.95 -14.07 62.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -87.87 142.79 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -75.04 141.83 43.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.98 -32.9 74.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.358 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.56 -2.85 76.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.62 -31.98 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -106.49 -56.16 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.246 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -76.14 59.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -44.28 149.38 0.73 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.965 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.454 0.169 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 172.36 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.07 135.6 33.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.6 m -57.22 -49.94 74.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.24 51.9 3.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -93.25 131.81 38.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.11 103.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.97 -8.37 10.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.5 m -109.3 -95.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -103.53 74.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.605 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -132.2 79.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.1 p -108.63 -27.35 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -64.98 -19.91 66.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.16 88.65 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.25 -36.93 44.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.1 t80 -80.64 -2.88 48.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.0 OUTLIER -99.55 -18.37 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.565 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -97.48 9.2 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.4 ' SD ' ' SG ' ' A' ' 79' ' ' CYS . 11.4 mmt -119.79 -8.83 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.0 m80 -136.7 -62.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.7 t70 -38.49 140.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 74' ' ' THR . 7.8 mttm -105.78 -33.99 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -69.01 66.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LYS . 63.0 p -130.63 152.06 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -64.37 -26.32 68.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -114.46 155.97 25.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 126.17 27.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 p -98.83 155.68 17.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' SG ' ' SD ' ' A' ' 69' ' ' MET . 55.5 m -42.69 -66.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.331 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 92.7 t -63.46 -37.84 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.94 -59.77 7.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.61 -45.01 92.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.5 m170 -53.06 -44.54 67.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.58 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 72.5 t -56.15 -36.37 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -34.12 59.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.3 t -74.53 -54.25 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -1.39 20.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.01 -4.12 10.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.62 -40.12 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.5 mt -87.87 -30.84 19.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.5 p -128.18 14.28 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.6 152.68 51.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.65 -56.33 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 139.81 53.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 69.48 47.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.7 -172.46 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -74.86 -30.21 61.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 82.3 m -84.02 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -96.74 143.07 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 167.01 27.94 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.779 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.83 -179.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.72 178.72 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.15 26.65 73.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.89 97.4 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 13.0 ttpp -101.48 144.58 30.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.422 ' SD ' ' OH ' ' A' ' 65' ' ' TYR . 1.4 ptp -120.79 106.35 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 4.1 tm-20 -105.03 68.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.87 -11.42 21.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -132.22 176.5 8.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -64.07 -14.19 52.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.78 97.97 48.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 161.98 37.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.5 t -144.06 153.08 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 53.3 t -117.72 117.58 55.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -106.9 165.1 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -141.16 148.9 40.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -102.31 -18.69 15.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.552 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -80.62 -3.53 50.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.0 m -102.68 -33.02 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -100.88 35.68 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.537 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -67.06 -43.26 83.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.4 p -69.13 -12.84 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.7 t -87.29 139.49 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.61 134.5 46.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 m -57.46 -29.21 64.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.43 -4.0 88.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -79.49 -33.5 42.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 0.798 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.84 -55.12 2.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' HIS . 94.2 m-70 -76.15 56.81 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' HIS . 20.6 p80 -39.64 148.07 0.31 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.562 0.22 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.06 -179.37 3.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.41 1.069 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -81.81 135.92 35.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 m -60.93 -48.85 79.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.284 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.25 52.84 2.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.15 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -96.73 132.72 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.85 108.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.81 -13.35 13.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.1 m -105.29 -95.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -103.78 68.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.619 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -131.23 77.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.6 p -112.17 -26.15 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -64.97 -12.13 46.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.73 92.55 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.422 ' OH ' ' SD ' ' A' ' 11' ' ' MET . 83.3 t80 -53.39 -37.11 62.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -86.02 0.79 52.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.5 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.1 t60 -99.41 -28.77 13.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.2 m -88.26 9.74 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.9 mmt -118.96 -12.21 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.3 m80 -135.11 -60.74 0.76 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.3 t70 -37.84 128.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.47 -27.06 13.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -77.95 63.06 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.481 HG21 ' CE1' ' A' ' 67' ' ' HIS . 42.6 p -125.95 156.26 40.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.441 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -64.95 -24.57 67.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -117.28 158.78 23.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -66.26 124.36 22.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 p -96.64 157.67 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 57.3 m -43.55 -67.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 108.252 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.515 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 96.1 t -63.8 -39.05 84.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.71 -58.93 7.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.42 -45.26 91.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 12.7 m170 -52.77 -43.79 66.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.536 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 90.1 t -56.65 -37.57 53.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -34.23 62.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 66.0 t -75.1 -55.66 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 97' ' ' LEU . 33.5 mttt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -10.94 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.47 -14.14 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 0.7 OUTLIER -122.77 5.31 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 93' ' ' LYS . 13.3 mt -123.53 -45.39 2.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.5 p -120.13 6.86 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.89 151.75 29.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.25 -44.95 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -129.28 140.46 51.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.93 50.04 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.27 -174.77 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 1.5 mmmt -75.3 -30.06 60.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.2 m -83.5 -65.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 108.295 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -95.59 133.17 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 161.87 37.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.18 -170.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -101.9 169.85 8.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.75 11.17 66.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.6 tm? -74.68 96.16 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.484 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -107.36 159.72 16.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.38 131.61 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.1 tm-20 -128.87 63.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.35 -17.28 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 p -127.68 177.64 6.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -70.47 -6.51 36.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.14 89.65 47.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.434 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 175.88 10.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 17' ' ' PRO . 79.6 t -155.21 146.66 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 76.7 t -105.77 116.24 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -99.82 172.71 7.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -151.23 144.82 24.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -99.79 -22.51 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.567 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.8 -3.06 32.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 m -104.67 -34.12 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.366 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -100.06 34.91 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.616 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -66.95 -44.44 80.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.8 p -67.07 -15.86 63.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 t -85.02 141.03 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.24 139.13 47.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -61.51 -34.33 75.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.82 -2.18 69.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -82.01 -32.38 30.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -105.51 -55.23 2.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -76.26 61.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -47.26 149.19 1.87 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.579 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.478 0.18 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.62 176.42 6.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.76 134.77 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -58.17 -49.57 76.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.09 51.54 3.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -93.25 131.4 38.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.359 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.68 103.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.89 -8.6 10.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.7 m -108.49 -94.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -105.35 75.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.625 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -134.25 76.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.54 -40.33 6.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -64.96 -21.13 66.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.06 98.57 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -58.24 -40.3 81.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 0.733 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -77.92 -1.42 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.3 t60 -98.92 -23.4 15.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -94.59 8.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.401 ' SD ' ' SG ' ' A' ' 79' ' ' CYS . 11.8 mmt -117.81 -13.55 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' ASP . 14.7 m80 -131.61 -63.02 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.3 t70 -38.53 139.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -106.92 -33.87 7.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -69.79 63.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.5 p -125.96 154.79 42.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -25.49 68.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -117.14 156.19 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 126.2 26.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.7 p -99.39 158.24 15.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.401 ' SG ' ' SD ' ' A' ' 69' ' ' MET . 42.5 m -44.68 -66.96 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 108.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 96.9 t -63.21 -36.21 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.6 -60.14 8.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.89 -44.65 92.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.1 m170 -53.11 -44.6 67.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 72.6 t -57.44 -37.91 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -34.56 62.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.24 -53.06 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 93' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 87' ' ' ALA . 35.2 mtmt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -69.5 -7.64 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.14 -4.26 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.54 -28.69 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 93' ' ' LYS . 40.7 mt -104.65 -29.28 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 26.2 p -127.45 20.57 6.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.429 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.89 144.09 34.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 26.9 m -82.16 -58.85 2.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -121.46 143.78 49.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.9 49.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.2 -173.34 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -75.61 -28.42 58.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 89.6 m -83.71 -62.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -100.71 141.93 32.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.654 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.18 23.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.92 -179.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.27 179.86 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.48 15.73 80.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.7 tm? -77.27 96.93 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -106.43 162.67 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.402 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -115.93 130.16 56.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 1.9 tm-20 -127.92 63.83 1.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.58 -18.49 14.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 p -125.34 -179.19 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -73.32 -4.56 34.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -132.03 90.9 34.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.436 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.02 176.22 10.2 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 17' ' ' PRO . 78.8 t -155.3 146.59 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 71.8 t -106.61 117.3 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.437 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 29.5 t80 -95.97 178.34 5.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 20' ' ' PHE . 23.8 m-80 -162.54 120.36 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -77.92 -19.65 54.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.587 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 t -76.66 -0.53 23.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.4 m -108.06 -31.46 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -103.01 36.33 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.587 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -66.93 -42.9 84.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.8 p -69.3 -13.79 62.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.4 t -87.04 142.27 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 144.92 43.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -65.71 -31.77 72.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.92 -2.8 83.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.57 -34.92 34.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.92 -55.29 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 108.34 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -74.87 58.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -43.18 148.95 0.57 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.629 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.537 0.208 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -127.79 156.0 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.51 134.93 54.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.8 -48.38 81.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.49 52.04 3.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.14 131.76 43.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.64 109.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.31 -15.34 11.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.3 m -105.15 -90.93 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -108.26 63.22 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.635 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -120.3 60.38 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.7 t -92.2 -48.66 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -19.29 65.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.95 95.27 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -51.92 -45.33 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.2 t80 -75.02 -0.56 19.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.454 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -100.26 -16.07 17.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -104.28 8.23 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.4 mmt -116.72 -14.4 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.9 m80 -132.31 -63.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.63 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -37.97 124.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.92 -33.04 13.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -70.53 63.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.7 p -125.93 156.14 40.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -23.88 67.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -120.14 156.51 30.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.71 126.74 28.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 p -99.46 162.01 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.1 m -46.98 -67.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 80.7 t -63.63 -36.72 77.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.38 -58.53 9.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.83 -44.79 92.17 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.5 m170 -52.94 -44.24 66.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 94.5 t -56.64 -37.92 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -33.94 63.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.0 t -73.7 -52.03 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.461 ' HB2' ' CD ' ' A' ' 94' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 97' ' ' LEU . 8.8 mmpt? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' CD ' ' HB2' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -65.68 -8.85 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.07 -14.48 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.68 4.19 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 93' ' ' LYS . 20.8 mt -126.59 -50.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.7 p -111.51 6.21 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.1 146.66 35.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.4 m -85.99 -53.18 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -129.55 133.3 47.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER 82.07 41.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.87 -172.68 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -74.7 -28.17 60.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 72.9 m -84.58 -65.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.285 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -99.92 129.47 46.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.589 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 160.0 40.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.83 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -88.7 169.26 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.91 16.65 62.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.79 103.44 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -110.86 156.71 20.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.68 112.14 13.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 3.6 tm-20 -107.35 66.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.88 -13.48 22.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.3 p -128.28 176.6 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -64.93 -11.44 38.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -124.25 99.8 36.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.32 35.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.3 t -145.3 152.74 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 43.7 t -118.8 115.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 35.2 t80 -96.01 176.07 6.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -152.74 140.95 20.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -101.46 -19.95 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.61 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.75 -4.19 53.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 m -103.68 -33.51 8.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -99.26 34.49 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.651 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -67.15 -39.06 86.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.1 p -72.92 -12.07 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.1 t -89.16 139.14 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.01 138.72 54.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.4 m -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.24 -0.46 89.75 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -82.13 -25.85 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.96 -55.05 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 108.316 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -75.22 61.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 23.0 p80 -45.22 148.06 1.16 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.001 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.499 0.19 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 176.16 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.23 141.2 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.7 m -64.47 -54.64 29.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.39 54.45 1.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.157 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.17 139.63 38.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.71 123.94 14.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.0 -25.88 24.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.2 m -95.12 -108.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 98.8 m-70 -93.63 70.96 4.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.37 18.14 20.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 7.7 t -81.48 103.62 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.522 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 11.0 mttm -64.38 -24.07 67.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.12 89.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -49.28 -43.33 43.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 3.5 t80 -77.65 0.57 22.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.445 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.9 t60 -103.83 -11.46 17.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 m -107.66 8.07 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.4 mmt -118.69 -10.48 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' ASP . 11.4 m80 -134.93 -61.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.8 OUTLIER -38.89 137.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 74' ' ' THR . 11.4 mttt -104.67 -34.45 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -69.54 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' LYS . 62.1 p -127.02 153.38 46.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HE3' ' CZ ' ' A' ' 76' ' ' PHE . 22.0 ttpt -64.75 -24.76 67.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 57.8 m-85 -116.47 157.61 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -65.31 125.71 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 p -99.08 155.71 17.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.3 m -43.44 -66.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 93.1 t -63.22 -35.82 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.79 -60.32 8.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 44.0 t -63.89 -45.06 91.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.5 m170 -52.9 -44.41 66.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 54.3 t -56.23 -38.29 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -34.27 62.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.0 t -73.06 -53.51 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -10.73 26.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.05 -7.68 10.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -112.7 -8.43 13.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 93' ' ' LYS . 16.0 mt -120.24 -43.01 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.7 p -117.93 19.47 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.377 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.21 156.24 45.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.36 -44.72 6.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.69 140.91 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 mttp 66.85 46.65 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.47 -173.43 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 9.9 mmtm -74.73 -30.09 61.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 64.3 m -82.74 -64.11 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -96.08 145.55 25.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 155.02 42.93 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.92 177.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -88.92 163.61 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.03 17.19 35.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.24 93.62 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -89.12 147.27 24.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.2 mtp -115.9 94.58 4.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 111.027 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 8.3 tm-20 -103.01 65.0 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.62 -13.69 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.9 p -129.55 176.61 7.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -64.77 -11.16 33.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -128.22 96.78 30.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 165.86 30.46 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -148.69 150.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.4 t -116.1 113.08 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -96.62 174.59 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -148.01 133.83 19.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -91.39 -10.58 40.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 m -88.82 -4.29 58.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.8 m -103.26 -31.89 9.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -101.49 35.31 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -67.5 -38.2 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.9 p -73.07 -14.35 61.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.6 t -86.5 139.38 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.3 136.68 50.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.4 m -59.06 -30.88 68.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.257 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.93 -2.86 87.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -80.21 -28.59 38.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.39 -54.39 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.324 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -76.91 56.12 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -42.31 148.65 0.5 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.659 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.505 0.193 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -122.68 176.11 6.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 133.9 35.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -57.42 -46.57 83.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.86 50.49 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.7 140.4 31.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.351 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.87 122.13 10.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.33 -25.1 27.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.9 m -95.02 -109.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.42 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 99.8 m-70 -93.75 69.95 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.58 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.02 20.31 18.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.48 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 4.4 t -80.49 102.49 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.42 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 10.1 mtmt -64.69 -22.63 67.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.52 95.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.459 ' O ' ' CG ' ' A' ' 69' ' ' MET . 69.9 t80 -54.97 -43.52 73.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.6 t80 -77.11 2.14 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.496 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.5 t60 -102.21 -31.94 10.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.5 m -88.06 8.96 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 4.0 mmt -120.13 -10.67 9.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 71' ' ' ASP . 15.2 m80 -135.5 -60.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.9 t70 -39.42 134.31 1.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -102.04 -34.25 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -71.34 62.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.9 p -124.29 154.97 39.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -64.6 -23.36 67.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -119.93 156.9 29.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -65.06 125.08 23.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 p -97.47 159.47 14.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.941 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 54.2 m -44.89 -67.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 108.268 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 71.5 t -63.6 -36.74 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.95 -59.51 8.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.9 -45.19 90.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.3 m170 -52.67 -44.36 66.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 78.1 t -55.04 -38.29 45.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -34.09 61.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.2 t -72.51 -53.32 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 97' ' ' LEU . 10.1 mtmm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -11.81 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.76 -4.41 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.96 -13.26 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 93' ' ' LYS . 28.5 mt -116.95 -39.56 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.1 p -119.15 19.16 12.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.49 147.21 46.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.2 m -87.16 -49.06 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.56 140.25 50.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 69.85 47.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.59 -173.16 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -74.48 -29.92 61.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 75.2 m -83.62 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.281 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -98.17 128.61 44.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.281 -0.636 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.03 25.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 169.32 2.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -83.32 166.44 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.9 18.88 45.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.3 92.97 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -89.29 143.95 26.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 19.8 mtp -111.64 96.25 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 5.3 tm-20 -105.26 65.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.18 -10.48 14.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 p -132.83 176.24 8.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -10.34 33.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -128.42 94.69 34.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 11' ' ' MET . 18.3 Cg_endo -74.97 166.46 29.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.5 t -150.02 151.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.5 t -116.47 112.74 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.471 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 87.3 t80 -95.98 168.46 10.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -139.89 131.91 27.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -90.42 -8.2 51.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -92.33 -5.38 52.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 m -101.95 -30.66 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.471 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 59.2 m80 -101.96 35.14 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.39 -40.18 85.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 p -70.24 -13.3 62.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.66 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 137.07 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -58.25 -31.35 67.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.01 -4.52 83.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -78.46 -35.03 47.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.2 m -104.69 -54.68 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -75.94 73.17 2.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -63.88 148.28 95.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.544 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.038 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.508 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 1.8 m-30 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.531 0.205 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.53 174.5 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 130.72 35.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.58 -46.32 89.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.323 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.0 51.29 3.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -94.72 131.52 40.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.7 108.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.48 -12.44 13.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.7 m -105.58 -91.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -107.78 65.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.652 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -126.42 76.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 t -108.15 -32.28 7.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -64.57 -19.26 65.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.12 92.88 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -52.02 -37.8 54.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.0 OUTLIER -81.73 -1.35 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.461 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -99.51 -17.78 17.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.631 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 m -100.49 8.28 8.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.6 mmt -118.92 -9.59 10.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 71' ' ' ASP . 11.3 m80 -135.44 -63.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.66 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -38.2 131.49 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.85 -34.24 10.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -71.0 65.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.5 p -126.6 156.1 41.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -64.33 -24.97 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -120.25 155.19 33.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.74 127.03 29.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.31 163.05 12.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.047 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 57.9 m -48.18 -66.61 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.335 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 96.2 t -63.51 -39.09 84.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.4 -58.68 7.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.73 -46.09 86.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.2 m170 -51.95 -44.32 63.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 109.566 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 93.8 t -54.93 -37.33 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -33.96 60.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.2 t -73.23 -51.55 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 97' ' ' LEU . 4.1 mtmp? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -9.97 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -5.2 11.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.69 -0.51 10.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' LYS . 22.4 mt -125.81 -49.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.6 p -109.76 9.58 24.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.41 148.24 37.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.45 -58.39 2.6 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -119.58 142.65 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 66.3 49.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.81 -173.31 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -74.71 -29.11 61.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.11 -62.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -100.29 139.87 35.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.78 -166.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -103.61 168.82 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.99 10.57 75.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.2 tm? -74.56 95.68 2.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.55 161.84 14.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.49 128.55 56.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 4.1 tm-20 -127.08 62.52 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.51 -20.3 15.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p -123.84 -178.77 4.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -72.97 -4.83 34.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.47 90.81 39.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.439 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 18.4 Cg_endo -75.0 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 17' ' ' PRO . 69.0 t -155.25 147.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 73.1 t -105.9 115.22 47.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -100.52 162.0 13.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -139.72 146.07 39.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -100.53 -20.59 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.581 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 t -78.74 -0.91 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.9 m -105.32 -32.75 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -101.28 35.59 2.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -66.3 -43.71 85.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.1 p -68.27 -15.46 63.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -85.14 141.31 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 137.92 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.45 -34.49 72.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.325 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.61 -2.29 68.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -82.29 -31.7 29.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -106.33 -55.6 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.75 58.12 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -42.64 149.28 0.49 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.624 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.532 1.807 . . . . 0.0 111.008 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.471 0.177 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.23 174.36 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.31 136.75 32.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.92 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.35 52.45 3.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -94.11 133.35 37.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 110.359 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.8 104.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.13 -9.78 11.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.4 m -107.54 -100.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -99.65 75.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -135.44 78.9 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.5 p -106.84 -35.17 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -64.83 -20.01 66.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.48 100.98 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -59.68 -43.81 93.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -75.78 -0.09 19.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.475 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.9 t60 -99.84 -20.87 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.595 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.0 m -97.33 8.16 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.4 mmt -115.76 -15.18 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.0 m80 -131.6 -63.17 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.614 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -39.38 123.88 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -32.15 15.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.16 71.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.2 p -135.81 156.05 49.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.363 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -64.69 -25.06 67.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -116.43 159.29 22.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.42 125.75 27.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.5 p -96.03 160.72 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.5 m -48.56 -66.18 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.418 ' HA ' ' HB2' ' A' ' 83' ' ' HIS . 69.1 t -63.66 -37.65 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.44 -58.98 8.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 44.3 t -63.69 -45.67 88.97 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.2 m170 -52.37 -45.01 65.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.561 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 39.2 t -57.25 -37.29 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -32.73 62.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t -76.09 -52.46 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' ' 94' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 97' ' ' LEU . 14.1 mmtt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HG3' ' CB ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -63.96 -11.81 31.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.27 -6.56 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.46 5.11 9.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 93' ' ' LYS . 26.9 mt -127.63 -48.68 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.4 p -112.36 5.14 18.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.18 149.0 32.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.59 -56.63 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.71 141.03 52.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 73.35 40.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.78 -174.0 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -74.93 -29.79 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 79.2 m -82.71 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 108.27 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -100.47 138.11 37.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.578 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.06 15.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.61 145.51 44.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.22 147.95 50.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.8 27.63 6.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.15 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.5 100.6 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.756 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -91.51 148.1 22.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -133.39 99.63 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 13.4 tm-20 -105.52 66.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.16 -17.13 28.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 p -126.39 -179.98 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -64.3 -12.05 37.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.29 98.87 40.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HB3' ' CG ' ' A' ' 12' ' ' GLU . 18.3 Cg_endo -75.01 157.51 42.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.8 t -140.07 155.42 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.0 t -122.24 113.59 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -100.43 149.4 23.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -123.51 129.72 51.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -83.09 -24.02 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.609 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.6 p -75.78 -2.08 28.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.0 m -104.0 -33.67 8.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -101.35 36.17 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -68.44 -39.17 81.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.0 -10.79 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.02 141.23 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -72.52 134.1 45.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.65 -36.72 69.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.44 -3.84 59.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 15.9 t0 -79.85 -33.53 40.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.16 -54.89 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -76.73 59.41 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 28.6 p80 -45.56 148.64 1.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.587 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.45 0.167 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -135.58 145.34 46.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 135.94 56.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.9 -53.32 57.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 108.313 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.87 52.61 3.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -94.07 133.35 37.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 110.421 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.78 103.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.11 -9.02 11.28 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.45 1.094 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -107.74 -101.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -97.85 74.63 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.65 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.07 80.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.6 p -112.89 -33.06 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.041 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -64.89 -12.81 53.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.68 98.05 1.14 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.153 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.31 -44.42 75.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.0 OUTLIER -74.59 -0.54 18.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -98.07 -19.33 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.612 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.8 m -98.14 9.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.9 mmt -118.15 -12.3 10.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.3 m80 -135.81 -63.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -38.03 125.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -29.64 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -70.76 60.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.8 p -125.88 153.84 43.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -64.88 -28.51 69.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 67.2 m-85 -110.07 156.85 20.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -65.59 122.59 17.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.66 159.64 14.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.7 m -45.87 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 75.5 t -63.75 -35.5 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.8 -60.26 8.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.8 t -63.67 -44.97 92.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.7 m170 -52.95 -44.26 66.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 53.0 t -55.46 -38.05 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -34.29 62.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 68.2 t -72.39 -54.03 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 97' ' ' LEU . 6.2 mtmp? . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -64.29 -11.72 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -121.84 -5.77 9.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.86 -9.76 13.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 93' ' ' LYS . 18.1 mt -119.49 -40.48 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.6 p -119.75 19.07 12.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.34 155.24 49.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -94.67 -39.19 10.45 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 137.78 31.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.4 tttp 73.87 40.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.97 -171.65 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -74.46 -27.99 60.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.0 m -86.72 -67.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -96.35 147.05 24.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.572 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.648 ' OXT' ' HG3' ' A' ' 107' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.25 16.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.548 1.814 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.7 171.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -94.27 157.72 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.24 30.28 17.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.482 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -74.69 93.65 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.443 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 6.7 tttp -95.99 123.14 39.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.406 ' O ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -109.6 109.01 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 8.0 tm-20 -108.97 68.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.17 -17.57 27.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -126.55 179.28 5.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.45 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -64.45 -11.76 36.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.96 96.98 39.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 18.4 Cg_endo -74.95 164.05 34.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.6 t -142.37 152.05 18.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 41.5 t -119.36 114.17 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -107.78 138.63 43.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -119.25 113.87 21.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -64.85 -21.4 66.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.579 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.5 p -75.23 -3.53 33.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -103.35 -33.63 9.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -101.67 36.31 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -67.99 -38.19 82.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.4 p -73.17 -15.67 61.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.0 t -85.43 141.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -73.43 142.87 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.55 -31.77 73.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 108.318 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.31 -4.26 78.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -80.39 -34.43 36.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -105.43 -55.12 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.319 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -75.87 57.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.559 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -43.27 148.94 0.59 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.593 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.482 0.182 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.33 175.04 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 128.2 34.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.85 -45.84 71.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 108.264 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.18 51.77 3.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.59 136.36 36.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.74 109.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.91 -16.37 13.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.563 1.165 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 95.2 m -104.38 -100.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -100.06 71.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.557 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -133.4 77.91 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 t -106.01 -35.83 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -64.69 -20.4 66.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.73 92.04 0.27 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.435 1.084 . . . . 0.0 111.01 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -52.74 -39.11 61.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -78.45 -0.42 29.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.529 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -101.69 -14.6 17.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -101.87 8.48 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.404 ' SD ' ' SG ' ' A' ' 79' ' ' CYS . 13.3 mmt -117.26 -14.04 10.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' ASP . 7.1 m80 -133.43 -62.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.586 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.529 ' OD2' ' CE1' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -38.72 125.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.87 -30.46 14.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 73' ' ' ASN . 6.9 p30 -71.33 65.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.5 p -129.57 156.28 44.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -65.3 -27.23 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -114.22 156.8 23.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -64.02 126.35 27.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 p -99.04 155.86 17.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.404 ' SG ' ' SD ' ' A' ' 69' ' ' MET . 57.5 m -42.79 -66.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.514 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 98.9 t -63.54 -37.42 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.94 -59.26 8.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 43.9 t -63.56 -45.49 90.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.7 m170 -52.95 -44.22 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 81.7 t -57.03 -37.53 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -33.87 62.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.7 t -75.02 -54.07 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 97' ' ' LEU . 23.7 mtmt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -64.69 -10.6 28.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.84 -15.55 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.29 4.15 10.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 93' ' ' LYS . 13.7 mt -123.22 -46.81 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.2 p -117.97 8.54 12.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.44 149.31 43.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.0 m -87.17 -58.15 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.09 135.73 54.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.78 49.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.39 -174.78 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -75.3 -31.33 60.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 68.6 m -80.84 -62.02 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 108.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -101.94 145.55 29.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 109.602 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.72 150.95 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.5 150.15 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.4 25.99 7.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -74.68 104.3 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.773 . . . . 0.0 109.344 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 4.5 tttt -102.61 146.49 28.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.403 ' SD ' ' OH ' ' A' ' 65' ' ' TYR . 1.7 ptp -124.14 104.65 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 1.6 tm-20 -104.52 67.54 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.29 -10.09 26.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.1 p -135.29 177.27 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -63.96 -14.9 57.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -119.69 97.26 49.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 160.0 40.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -142.02 152.71 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 41.8 t -119.55 117.38 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -106.02 144.83 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -121.06 130.16 53.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -82.24 -26.37 33.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.622 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.4 p -74.47 -2.99 28.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -102.33 -32.04 10.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -103.29 37.18 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -68.92 -40.2 79.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 p -71.76 -9.29 58.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.6 t -91.83 142.39 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 135.39 44.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 m -58.56 -28.86 65.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.65 -3.54 89.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -79.51 -33.98 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.0 m -104.89 -54.49 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.79 56.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -41.76 148.34 0.46 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.632 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.033 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.474 0.178 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.08 170.63 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 135.36 36.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.29 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.76 52.42 3.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.2 133.52 38.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 0.726 . . . . 0.0 110.41 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.89 107.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.29 -12.45 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.9 m -105.62 -99.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -100.23 81.12 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.65 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.04 81.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -112.21 -28.5 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -7.0 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.33 91.43 0.94 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.403 ' OH ' ' SD ' ' A' ' 11' ' ' MET . 69.0 t80 -50.84 -37.47 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -83.44 0.26 46.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -104.2 -8.38 19.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 m -105.28 7.28 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.85 -5.86 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.4 m80 -134.51 -62.51 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 70' ' ' HIS . 2.4 t70 -39.08 133.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.69 -20.75 13.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -86.48 56.93 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 p -117.21 158.33 24.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -64.75 -26.01 68.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -117.78 157.07 27.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -62.69 122.35 15.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 2.9 p -95.86 157.78 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 50.0 m -44.92 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 108.284 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.418 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 92.7 t -63.67 -36.55 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.42 -59.44 9.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.91 -45.21 90.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 12.6 m170 -53.0 -44.54 67.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.641 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 49.7 t -57.6 -37.52 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.52 -33.7 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.95 -54.07 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 94' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 22.9 mttt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.464 ' HG2' ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -63.83 -11.58 28.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.98 -8.59 14.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.36 1.23 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 93' ' ' LYS . 19.9 mt -126.37 -45.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.4 p -116.44 13.03 15.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.61 153.09 47.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.4 m -90.24 -56.87 3.05 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.77 134.23 54.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.45 46.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.39 -173.71 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -74.82 -30.69 61.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.3 m -83.01 -63.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -100.09 132.6 45.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.34 21.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.54 1.81 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 47.51 -172.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.35 149.0 81.29 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.514 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.4 Cg_endo -74.98 172.84 15.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 179.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -94.09 168.87 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.96 22.32 59.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.458 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.07 102.03 4.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -112.13 153.87 26.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.404 ' CE ' ' CGD' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -129.19 113.81 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 2.2 tm-20 -108.19 67.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.16 -10.06 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.408 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 12.0 p -131.53 176.48 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -64.76 -11.77 40.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.35 99.44 36.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.54 37.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG23 ' C1D' ' A' ' 111' ' ' HEC . 74.2 t -143.03 153.92 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 45.9 t -120.8 114.53 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.454 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 63.0 t80 -100.61 165.03 11.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -144.84 138.5 27.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -93.88 -20.19 20.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.554 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -77.12 -3.03 37.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.413 ' CG2' ' O1A' ' A' ' 110' ' ' HEC . 23.7 m -105.17 -34.83 7.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.468 ' CG ' HBC3 ' A' ' 108' ' ' HEC . 59.9 m80 -99.23 34.66 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.68 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -67.71 -35.82 79.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 p -76.5 -11.77 59.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 t -88.8 143.15 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 137.63 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 m -60.04 -33.09 71.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.8 -4.28 76.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.479 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 14.6 t0 -79.94 -33.4 39.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.45 -55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.281 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -76.4 56.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -41.97 148.67 0.46 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.578 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 135.01 18.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 72.6 t -125.01 114.73 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 2.1 t-20 82.55 -1.13 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.84 0.48 56.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.48 141.07 38.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.89 127.4 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -149.19 159.84 43.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.554 ' CE2' HMB1 ' A' ' 108' ' ' HEC . 17.3 m-30 -98.26 93.58 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -124.17 176.26 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.33 134.14 33.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.426 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.4 m -56.72 -44.28 81.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.87 48.57 3.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -89.25 130.93 35.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.92 102.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.3 -7.82 10.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.7 m -108.74 -92.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -107.11 74.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -135.75 76.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.8 p -107.98 -30.87 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.64 34.83 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 58' ' ' LYS . 1.1 t70 -105.04 -35.0 7.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.64 -64.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -82.23 72.2 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -140.63 -51.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.458 ' HA ' ' CG ' ' A' ' 67' ' ' HIS . 3.6 pttm 41.99 90.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -157.87 -54.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -179.44 -54.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -19.68 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.66 93.31 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -53.25 -40.98 65.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.573 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -78.47 0.25 26.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.504 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.3 t60 -99.38 -30.73 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.507 HG13 ' C4A' ' A' ' 109' ' ' HEC . 3.5 m -87.03 8.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.2 mmt -117.69 -13.36 10.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 12.6 m80 -132.91 -60.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.588 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 2.1 t70 -39.0 132.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.81 -29.55 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -76.41 60.52 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.482 ' HB ' ' CGA' ' A' ' 109' ' ' HEC . 37.6 p -122.24 157.39 31.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -64.71 -24.6 67.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -118.54 157.92 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -65.24 125.36 24.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.78 162.19 13.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.6 m -49.05 -66.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 74.6 t -63.64 -35.6 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.49 -59.82 8.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.69 -45.19 91.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.5 m170 -52.86 -44.33 66.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 67.9 t -56.98 -37.67 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -34.12 62.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.03 -53.7 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.69 83.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.67 -122.0 1.24 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.13 60.93 0.64 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -111.34 -17.02 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 92' ' ' ALA . . . 61.37 146.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . 84.03 -50.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 97' ' ' LEU . 11.1 mttm -66.75 -45.66 77.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' CG ' ' OG1' ' A' ' 98' ' ' THR . 1.6 ttpp -64.77 -10.3 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -14.9 20.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -122.7 5.07 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 93' ' ' LYS . 13.5 mt -123.24 -44.75 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.452 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 19.2 p -119.56 6.09 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.14 144.76 48.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.4 m -81.29 -51.99 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -124.63 140.06 53.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mttt 72.15 46.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.55 -173.58 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 2.8 mmtt -75.08 -29.34 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.6 m -85.15 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.291 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -95.05 132.74 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.597 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.554 HMB1 ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.507 ' C4A' HG13 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.521 ' C1C' HBC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.514 ' C1D' HG23 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.573 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.96 -89.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.29 157.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.16 142.0 98.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' HD3' ' C4A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -74.98 166.2 29.72 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.27 -170.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -101.68 169.22 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.76 21.79 65.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.91 105.56 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.89 150.88 34.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.485 ' CE ' ' O2D' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -123.64 114.24 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 1.5 tm-20 -108.63 67.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.82 -11.66 23.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.417 HG22 ' CGD' ' A' ' 111' ' ' HEC . 10.0 p -129.37 176.27 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -64.9 -11.69 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.19 99.2 37.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.85 40.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG23 ' C1D' ' A' ' 111' ' ' HEC . 73.9 t -140.9 152.42 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.8 t -117.29 118.48 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.445 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 57.6 t80 -107.55 163.26 13.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -141.62 147.38 37.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -101.05 -21.8 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.539 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.71 -4.84 45.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.7 m -102.37 -31.99 10.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -101.78 35.94 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -67.86 -40.73 83.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.7 p -71.41 -13.45 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.8 t -87.4 140.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 139.76 50.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.0 m -62.92 -27.94 69.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 108.297 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.95 -1.12 90.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 17.9 t0 -82.4 -31.89 29.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.9 -55.43 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 108.269 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -75.38 57.2 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -41.21 148.69 0.39 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.622 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.7 t -86.65 -64.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.88 35.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.31 0.1 76.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.103 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -121.62 142.51 50.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 0.809 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -92.8 80.96 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -81.23 138.95 35.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.586 ' CE2' ' CMB' ' A' ' 108' ' ' HEC . 13.9 m-30 -91.36 81.96 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -121.89 173.44 7.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 132.22 37.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -57.59 -47.55 81.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.347 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.88 51.5 3.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.9 131.58 42.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.435 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.69 108.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.82 -13.55 13.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m -105.53 -90.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -109.55 70.8 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.646 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -133.01 75.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.7 t -108.2 -25.82 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.66 34.3 9.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -128.7 69.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.49 -52.37 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.0 62.26 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -171.91 90.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.24 145.37 26.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.12 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.25 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -70.73 -7.38 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.45 91.73 0.76 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -51.2 -42.14 60.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -78.53 -0.64 30.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.49 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.9 t60 -99.28 -26.75 14.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.635 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.511 HG13 ' C4A' ' A' ' 109' ' ' HEC . 2.8 m -90.74 8.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.2 mmt -118.06 -13.02 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 14.2 m80 -132.49 -61.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.564 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.9 t70 -38.87 132.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -27.97 12.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -76.73 61.18 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.502 ' CG2' ' O1A' ' A' ' 109' ' ' HEC . 42.7 p -123.32 157.37 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -64.75 -25.32 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -117.94 157.04 27.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.75 125.75 25.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 p -99.35 157.61 16.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.6 m -43.9 -66.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 108.283 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.477 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 88.9 t -63.46 -35.6 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.7 -59.93 8.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.9 t -63.76 -45.53 89.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -52.56 -44.07 65.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 56.0 t -56.69 -37.78 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -33.58 63.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.4 t -74.19 -51.23 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.465 ' CB ' ' HG3' ' A' ' 94' ' ' LYS . . . -72.27 -12.05 60.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . -36.92 119.06 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 88' ' ' GLY . . . 40.25 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 0.799 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -165.05 -43.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 92' ' ' ALA . . . 75.2 144.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . 84.49 -48.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' A' ' 97' ' ' LEU . 3.4 mmtm -73.14 -41.12 64.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -63.91 -11.08 24.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.24 -8.51 14.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -120.95 2.91 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 93' ' ' LYS . 15.8 mt -125.19 -46.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.44 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 19.2 p -114.84 7.75 15.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.5 148.86 46.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.8 m -84.75 -57.44 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.14 139.51 53.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 74.09 42.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -174.08 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' A' ' 96' ' ' ASP . 18.6 mmtm -74.99 -29.91 61.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 52.4 m -83.25 -66.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -94.14 142.94 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.586 ' CMB' ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.511 ' C4A' HG13 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.52 ' CHC' HBC2 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.514 ' C1D' HG23 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.573 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 18.5 Cg_endo -74.94 -87.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 172.71 155.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.75 142.32 98.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.513 ' HD3' ' C4A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -75.02 164.01 34.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.96 -172.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -100.08 159.77 14.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.76 26.34 29.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 HD13 ' CBD' ' A' ' 108' ' ' HEC . 0.2 OUTLIER -74.92 96.8 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 2.9 tttt -101.73 142.02 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.74 112.18 17.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 10.0 tm-20 -108.84 68.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.0 -9.02 26.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.442 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 16.8 p -131.9 176.86 8.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -64.62 -11.63 37.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.4 ' O ' HBD1 ' A' ' 111' ' ' HEC . 1.5 mm100 -126.42 101.21 28.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.63 36.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.453 HG23 ' C1D' ' A' ' 111' ' ' HEC . 67.4 t -143.16 152.86 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 43.9 t -118.63 113.8 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -103.52 163.98 11.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -141.44 141.68 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.271 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -95.88 -19.7 19.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.6 -1.7 35.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -105.64 -36.28 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.42 ' CG ' HBC3 ' A' ' 108' ' ' HEC . 61.1 m80 -97.55 33.45 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -41.52 92.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.2 p -70.01 -15.75 63.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -85.23 141.08 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 139.1 49.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.6 m -62.36 -27.4 69.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.06 -1.37 90.3 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.501 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 19.6 t0 -82.77 -32.35 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.6 m -105.04 -55.74 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.51 57.26 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -40.43 148.65 0.34 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.627 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.8 t -84.82 -69.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.82 32.21 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.58 0.32 89.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -117.34 143.77 45.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.57 70.37 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -75.1 145.66 42.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.627 ' CE2' ' CMB' ' A' ' 108' ' ' HEC . 13.3 m-30 -95.61 87.04 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.4 174.7 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 132.99 35.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.3 -49.23 77.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.306 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.76 51.49 3.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.73 131.83 41.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.83 108.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.11 -13.79 12.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.6 m -105.51 -91.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -109.0 69.66 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -130.53 76.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -105.41 -35.07 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.87 35.78 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 11.7 m-20 -142.06 86.34 1.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.609 1.193 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -41.72 -52.65 3.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.26 56.06 2.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 11.4 t70 -122.95 -58.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 67' ' ' HIS . 0.0 OUTLIER 63.21 -139.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.7 m 72.16 -71.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -178.69 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -10.99 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.16 96.95 1.01 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.75 -44.23 73.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -75.75 0.16 18.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 60' ' ' LYS . 1.6 t60 -99.26 -21.87 15.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.513 HG13 ' C4A' ' A' ' 109' ' ' HEC . 2.8 m -96.87 8.9 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.1 mmt -117.42 -14.51 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 7.9 m80 -132.6 -63.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.637 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -37.84 132.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 74' ' ' THR . 19.9 mttp -99.49 -32.74 10.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -69.47 65.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.482 ' HB ' ' CGA' ' A' ' 109' ' ' HEC . 58.4 p -129.88 153.34 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -64.7 -25.44 67.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -115.91 155.71 27.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -64.06 126.29 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.63 161.71 13.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.4 m -47.86 -66.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 98.0 t -63.56 -37.84 80.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.91 -59.22 8.3 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 45.0 t -63.72 -45.85 88.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.2 m170 -52.62 -44.09 65.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.633 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 69.1 t -56.31 -38.51 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -33.82 62.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.457 ' CG1' HMD2 ' A' ' 110' ' ' HEC . 85.1 t -73.23 -52.47 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.75 -31.74 73.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.357 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.69 -102.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.53 65.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 8.6 t0 -112.41 -32.87 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 90' ' ' ASP . . . 82.97 -76.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.49 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 90.0 mttt -81.65 -36.01 29.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -64.42 -9.38 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.64 -10.53 12.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.46 -3.5 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 93' ' ' LYS . 17.9 mt -121.9 -46.68 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.436 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 19.4 p -115.03 15.1 17.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.16 152.56 46.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.35 -50.38 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.11 139.73 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp 70.91 45.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.6 -172.63 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -74.4 -30.75 62.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.8 m -83.42 -63.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -97.96 141.1 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.597 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.627 ' CMB' ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.513 ' C4A' HG13 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.517 ' CHC' HBC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.453 ' C1D' HG23 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.477 ' HD2' ' CE2' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -75.0 176.84 9.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -90.09 169.43 11.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.96 153.39 88.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.512 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.1 Cg_endo -75.08 173.32 14.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 159.06 15.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -77.42 163.08 26.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.21 25.24 34.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.476 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.96 98.25 3.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 2.1 ttpm? -103.61 143.74 32.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.21 103.92 9.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 1.6 tm-20 -102.21 65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.22 -10.39 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.4 ' OG1' ' O2D' ' A' ' 111' ' ' HEC . 69.6 p -132.67 176.58 8.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.32 -14.36 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -119.53 98.56 50.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.8 42.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.48 HG23 ' C1D' ' A' ' 111' ' ' HEC . 67.0 t -139.91 145.56 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 47.4 t -111.85 117.65 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -106.39 149.5 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -127.16 137.86 53.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -91.49 -27.05 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 m -74.23 -3.06 27.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.403 ' CG2' HBA2 ' A' ' 110' ' ' HEC . 34.0 m -102.83 -30.85 10.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -102.49 34.92 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.608 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -65.1 -43.29 92.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.2 p -69.17 -8.04 41.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.2 140.43 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.04 142.03 45.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -63.06 -30.93 71.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 108.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.74 -3.83 84.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 17.4 t0 -80.89 -31.63 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 m -107.65 -55.07 2.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.33 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -76.33 56.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.571 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -41.68 148.54 0.44 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.568 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 117.31 4.85 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.71 -68.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -97.53 34.63 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.78 -0.31 88.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -115.75 151.75 34.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.52 66.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -74.91 130.98 40.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.569 ' CE2' HMB2 ' A' ' 108' ' ' HEC . 9.5 m-30 -78.54 91.89 4.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.08 174.64 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.31 131.46 35.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.404 ' SG ' ' CMD' ' A' ' 108' ' ' HEC . 3.5 m -56.95 -46.46 82.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.25 49.03 3.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -93.82 132.83 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.421 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.71 111.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.86 -16.11 18.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.3 m -103.8 -91.61 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -109.07 74.1 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.643 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -135.75 75.76 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 t -107.1 -32.38 7.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.83 34.86 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -106.03 -32.54 8.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER 69.83 -63.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -90.75 68.55 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -143.3 -47.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' HA ' ' CG ' ' A' ' 67' ' ' HIS . 0.1 OUTLIER 66.0 -119.76 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m 63.45 -78.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -173.96 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -65.09 -22.9 67.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.49 94.27 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -54.72 -41.86 70.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 1.5 t80 -76.97 -0.0 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.466 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.0 t60 -100.25 -18.76 16.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.59 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.51 ' CG1' ' C3A' ' A' ' 109' ' ' HEC . 2.9 m -99.34 8.82 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.0 mmt -117.45 -13.15 10.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.9 m80 -133.51 -63.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -38.54 132.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.25 -32.31 10.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -71.41 67.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.498 ' CG2' ' O2A' ' A' ' 109' ' ' HEC . 45.8 p -130.45 156.27 45.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -64.97 -24.27 67.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -118.96 156.7 29.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -64.01 127.02 29.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 p -99.32 156.91 16.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.7 m -43.36 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 108.282 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.513 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 97.4 t -63.34 -37.61 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.67 -59.96 7.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.49 -44.91 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.5 m170 -52.79 -44.07 66.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 83.2 t -55.92 -41.98 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 -34.45 62.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.34 -52.04 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.87 -18.9 65.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 41.3 -115.95 0.84 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.06 77.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -156.13 96.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -46.66 -47.94 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.43 -63.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.551 ' O ' ' N ' ' A' ' 97' ' ' LEU . 20.5 mttt -65.14 -34.31 78.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' O ' ' OG1' ' A' ' 98' ' ' THR . 18.4 tttm -66.91 -8.57 30.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' ALA . 9.0 ttmt -119.53 -8.46 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.232 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.1 -22.08 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 93' ' ' LYS . 19.8 mt -108.01 -47.56 3.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.442 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 29.9 p -108.43 16.76 22.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.89 147.68 50.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 9.9 m -85.92 -62.2 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -119.79 139.04 52.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 71.6 49.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.16 -171.22 2.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -74.68 -27.98 60.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 70.8 m -86.07 -63.63 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 108.292 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -96.69 130.1 43.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.58 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.569 HMB2 ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.51 ' C3A' ' CG1' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.53 ' CHC' HBC2 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.482 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 133.53 16.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 166.23 23.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.93 154.13 86.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.1 Cg_endo -75.02 165.1 32.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.69 -177.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.94 169.54 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.15 21.7 62.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.473 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.91 101.95 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 0.728 . . . . 0.0 109.36 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' NZ ' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -112.0 148.23 34.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.1 114.58 21.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 6.1 tm-20 -110.02 68.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.07 -12.19 22.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.443 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 8.7 p -130.47 176.12 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -65.08 -10.95 34.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.4 ' O ' HBD1 ' A' ' 111' ' ' HEC . 0.3 OUTLIER -123.39 95.85 44.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.96 34.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 HG23 ' C1D' ' A' ' 111' ' ' HEC . 89.1 t -145.68 153.55 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.408 ' CG2' ' NZ ' ' A' ' 10' ' ' LYS . 50.5 t -117.63 114.53 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.461 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 52.7 t80 -99.8 163.85 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -144.67 136.65 25.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -92.69 -18.08 23.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.569 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.407 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 3.7 t -79.37 -2.23 40.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 m -106.15 -35.3 7.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -98.71 34.11 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 11.0 mtpt -67.97 -36.04 79.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.8 p -74.92 -13.81 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.1 t -87.9 142.96 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.74 139.81 47.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.1 m -62.32 -27.69 69.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.88 -1.2 90.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.502 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 20.7 t0 -84.37 -25.03 29.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.405 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.7 m -113.41 -55.37 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -76.64 55.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.455 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 27.0 p80 -40.36 148.61 0.33 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.69 8.07 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.535 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 94.6 t -110.39 114.91 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t-20 85.47 -8.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.22 0.65 33.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 142.31 40.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.746 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -106.62 133.23 51.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -150.38 170.75 18.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.515 ' HB3' ' C3A' ' A' ' 108' ' ' HEC . 18.4 m-30 -115.28 87.85 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.09 174.46 6.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.76 135.03 35.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.45 -49.64 76.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 108.324 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.66 51.67 3.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.74 131.87 41.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.92 107.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.14 -14.01 11.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.3 m -106.15 -93.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -105.95 68.94 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -130.26 75.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 t -110.78 -24.18 10.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.45 35.95 12.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.428 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -134.28 95.9 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.71 -44.5 96.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 53.83 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 56' ' ' ASP . 12.2 t70 -158.9 93.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -92.97 135.81 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.3 p 178.31 -67.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -177.2 -43.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -70.64 -7.35 43.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.64 91.92 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -50.31 -41.08 50.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.602 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 2.5 t80 -79.38 0.08 30.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.479 ' NE2' ' O2A' ' A' ' 109' ' ' HEC . 1.2 t60 -101.28 -15.04 17.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.527 ' CG1' ' C3A' ' A' ' 109' ' ' HEC . 1.5 m -103.47 7.93 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.245 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.3 mmt -115.78 -16.53 11.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 71' ' ' ASP . 5.8 m80 -132.62 -62.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.555 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -38.94 119.88 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 74' ' ' THR . 3.7 mttp -85.57 -38.97 17.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.19 79.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.423 ' HB ' ' CBA' ' A' ' 109' ' ' HEC . 40.6 p -143.5 155.62 44.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -24.14 67.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -118.85 158.61 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -66.3 128.09 34.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 p -97.17 161.19 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 59.0 m -48.66 -66.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 77.1 t -63.82 -36.88 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.26 -58.75 9.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.49 -45.16 92.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.7 m170 -52.61 -44.15 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 93.5 t -55.89 -37.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -34.33 62.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.3 t -73.29 -53.65 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.1 77.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 54.31 -97.53 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.98 58.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 26.0 t0 -103.68 -19.66 14.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 90' ' ' ASP . . . 78.88 -76.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.61 -57.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 97' ' ' LEU . 5.7 mttp -65.22 -38.0 89.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -64.21 -10.2 21.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.91 -7.14 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.28 -0.05 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 93' ' ' LYS . 16.0 mt -125.31 -49.19 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.439 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 17.9 p -110.86 10.81 22.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.09 150.11 46.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.6 m -88.77 -49.43 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -128.5 137.89 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 72.53 45.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.32 -172.49 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.437 ' HE3' ' CGA' ' A' ' 110' ' ' HEC . 10.5 mmtm -74.43 -29.77 61.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 57.0 m -85.94 -67.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 108.346 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -94.79 128.43 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.573 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.522 HBC2 ' CHC' ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.527 ' C3A' ' CG1' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.522 ' CHC' HBC2 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.518 ' C1D' HG23 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.453 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -74.98 152.72 41.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.15 166.52 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.03 155.75 82.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.01 169.34 22.84 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.82 175.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.04 169.84 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.99 26.43 58.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.09 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.48 99.85 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 1.3 ttmp? -105.61 143.56 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.477 ' CE ' ' O1D' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -122.72 111.89 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 2.9 tm-20 -107.64 67.62 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.71 -11.57 24.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.428 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 13.8 p -129.72 176.98 7.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -64.45 -11.64 35.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' HBD1 ' A' ' 111' ' ' HEC . 1.2 mm100 -125.85 102.21 28.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 159.92 40.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 HG22 ' C2D' ' A' ' 111' ' ' HEC . 55.0 t -140.97 148.57 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 48.5 t -114.54 117.44 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -107.09 161.41 14.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -139.33 141.42 37.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -96.03 -18.77 19.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -79.81 -1.33 38.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.957 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.404 ' CG2' ' O2A' ' A' ' 110' ' ' HEC . 26.4 m -106.07 -37.3 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -96.68 33.06 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -65.28 -38.54 90.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -11.98 60.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.955 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.5 140.19 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -71.26 139.3 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 m -61.74 -31.61 71.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.57 -4.27 80.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 12.5 t0 -79.09 -34.92 43.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.4 m -104.9 -54.84 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.61 56.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.621 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.454 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 27.6 p80 -43.38 149.33 0.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.557 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 134.91 18.4 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.555 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 99.5 t -129.87 109.8 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 10.2 t-20 87.17 -14.39 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.22 0.88 29.81 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.36 100.91 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.22 106.22 17.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.415 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 1.5 t0 -135.43 178.63 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.568 ' CE2' HMB2 ' A' ' 108' ' ' HEC . 7.9 m-85 -108.93 125.74 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.482 ' HG3' ' CMC' ' A' ' 109' ' ' HEC . 0.0 OUTLIER -157.33 177.49 11.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.1 130.8 34.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -57.74 -46.06 84.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.332 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.62 51.9 3.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -94.65 131.78 40.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.384 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.82 105.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.32 -11.04 10.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.22 -93.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -105.86 66.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.69 74.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.1 p -102.02 -34.01 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.12 33.98 13.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' LYS . 5.3 t0 -103.5 -44.48 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.468 ' HE3' ' CGA' ' A' ' 111' ' ' HEC . 0.0 OUTLIER 68.27 -67.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -69.51 63.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' LYS . 4.5 m-20 -171.48 167.03 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -150.91 136.9 18.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.86 -64.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -179.59 -46.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -65.06 -15.52 62.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.87 91.98 0.28 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -51.02 -39.47 55.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 1.3 t80 -80.38 -1.04 39.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -100.43 -14.29 18.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.602 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.516 ' CG1' ' C3A' ' A' ' 109' ' ' HEC . 1.6 m -104.13 8.71 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.0 mmt -118.44 -9.04 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' ASP . 8.7 m80 -137.37 -62.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -37.58 126.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 -29.13 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -76.25 65.99 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.504 ' CG2' ' O2A' ' A' ' 109' ' ' HEC . 40.9 p -127.89 158.02 38.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.452 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -64.64 -24.67 67.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -121.16 154.65 35.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -62.26 126.29 26.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.31 161.32 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 59.8 m -45.24 -65.14 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.458 ' HA ' ' HB2' ' A' ' 83' ' ' HIS . 77.9 t -63.43 -49.39 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -39.78 -58.21 2.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 38.3 t -63.13 -47.81 81.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 15.1 m170 -51.71 -44.05 63.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.651 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.37 -39.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -34.33 61.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.462 ' CG1' HMD1 ' A' ' 110' ' ' HEC . 98.7 t -72.17 -51.62 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 88' ' ' GLY . . . -64.66 -26.29 68.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . 37.25 -120.85 0.77 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.69 69.7 3.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 0.776 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -152.63 95.93 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -50.21 -56.04 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . -39.31 -61.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 97' ' ' LEU . 28.9 mtmt -64.52 -37.06 86.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -10.4 25.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -117.97 -7.96 10.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 0.9 OUTLIER -115.34 -3.99 12.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.555 ' N ' ' O ' ' A' ' 93' ' ' LYS . 26.9 mt -124.24 -47.93 1.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.425 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 12.2 p -112.31 15.04 20.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.03 163.86 10.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -104.91 -41.21 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -138.16 140.0 39.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.7 40.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -172.07 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 12.4 mmtm -74.51 -29.8 61.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.5 m -84.85 -64.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 108.31 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -95.68 124.67 39.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.568 HMB2 ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.516 ' C3A' ' CG1' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.515 ' CHC' HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.518 ' C2D' HG22 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.79 29.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -79.15 178.64 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.93 153.09 89.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.0 Cg_endo -75.03 174.66 12.41 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.55 159.94 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -80.94 173.13 12.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.1 29.22 62.91 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.429 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.8 98.25 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 2.0 ttpt -101.94 142.37 33.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.575 ' CE ' ' CGD' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -123.17 107.3 11.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 9.6 tm-20 -105.52 66.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.53 -13.03 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.409 ' N ' ' O2D' ' A' ' 111' ' ' HEC . 72.2 p -132.02 178.04 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -15.55 60.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -119.33 96.39 49.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.33 41.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.438 HG23 ' C1D' ' A' ' 111' ' ' HEC . 68.8 t -139.6 153.51 23.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 40.5 t -119.72 115.61 48.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -107.51 137.99 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -120.79 117.38 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -67.05 -24.3 65.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -5.04 31.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.0 m -103.64 -32.93 9.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.463 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 64.3 m80 -102.13 36.08 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -68.86 -39.2 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.6 p -70.86 -14.61 62.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -88.12 143.0 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 145.27 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -65.48 -32.12 73.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.66 -4.69 76.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.505 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 13.1 t0 -80.65 -35.17 34.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.405 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 2.2 m -104.88 -55.39 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -77.08 66.66 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CE1' HG21 ' A' ' 37' ' ' VAL . 32.6 p80 -55.91 148.31 38.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.654 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 35' ' ' HIS . 59.2 t -84.82 91.55 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 64.94 -82.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.95 2.95 5.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.69 140.02 30.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.15 61.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -130.09 48.05 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.511 ' HB3' ' C4A' ' A' ' 108' ' ' HEC . 1.8 m-85 45.06 96.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 168.37 17.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.48 133.74 38.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.88 -52.02 66.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.56 53.02 2.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -98.01 132.71 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.398 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.65 111.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.29 -16.98 17.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.53 -94.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -105.19 69.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.61 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -129.4 76.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -111.06 -22.11 11.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 44.13 36.54 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -138.27 86.98 2.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.585 ' CG ' ' CE1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -57.65 -61.88 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -71.19 65.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 5.9 t0 -149.17 -47.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER 87.13 -150.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.598 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.4 OUTLIER 72.8 170.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.34 -32.24 68.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -64.53 -19.45 65.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.57 90.01 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.406 ' OH ' ' O1D' ' A' ' 111' ' ' HEC . 56.3 t80 -50.43 -37.52 38.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.601 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 3.5 t80 -80.11 1.83 26.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -107.8 -2.81 19.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.558 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.505 HG13 ' C4A' ' A' ' 109' ' ' HEC . 1.5 m -112.05 5.64 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.455 ' HG2' ' CMD' ' A' ' 111' ' ' HEC . 0.0 OUTLIER -120.17 -7.74 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 71' ' ' ASP . 23.3 m80 -132.49 -63.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.62 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' HIS . 1.6 t70 -38.65 142.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HE2' ' CG2' ' A' ' 84' ' ' VAL . 20.5 mttt -110.09 -27.89 8.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -77.92 61.04 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.507 ' CG2' ' O1A' ' A' ' 109' ' ' HEC . 57.1 p -123.24 154.74 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.19 -26.15 68.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 77.8 m-85 -115.44 155.83 26.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -63.53 123.47 18.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.1 160.17 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.9 m -49.45 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 108.328 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.509 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 90.5 t -63.52 -36.98 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.41 -59.73 8.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.29 -44.95 93.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.479 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 13.6 m170 -53.02 -44.52 67.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 80.9 t -56.88 -37.22 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -34.06 62.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.5 -53.75 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.3 -32.52 74.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.46 -101.61 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.36 62.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -112.97 -8.27 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 68.32 -74.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -41.13 -58.4 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' LEU . 2.2 mttp -64.57 -32.16 73.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -67.99 -9.12 43.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -125.01 -5.05 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.89 -23.0 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 93' ' ' LYS . 43.6 mt -109.27 -30.29 8.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.467 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 21.1 p -127.55 21.36 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.453 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.18 144.48 34.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.8 m -83.43 -52.48 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -126.97 132.85 50.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 77.07 51.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.68 -173.6 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -74.62 -30.06 61.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 85.7 m -83.66 -63.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -102.12 145.34 29.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.575 ' CGD' ' CE ' ' A' ' 11' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.507 ' O1A' ' CG2' ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.532 ' C1C' HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.479 HBC1 ' CE1' ' A' ' 83' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.549 ' HD2' ' CE2' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -74.98 -169.1 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.83 166.88 11.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.91 149.49 96.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.532 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.04 165.13 31.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.571 1.827 . . . . 0.0 111.03 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.59 162.99 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -81.99 164.23 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.21 25.28 34.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.427 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -75.17 92.1 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 10.5 tttm -92.39 146.11 23.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.464 ' HE2' ' CGD' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -132.15 104.03 6.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 1.7 tm-20 -103.95 65.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.426 ' N ' ' O1D' ' A' ' 111' ' ' HEC . . . -85.67 -15.51 42.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.479 HG22 ' CGD' ' A' ' 111' ' ' HEC . 3.7 p -127.94 179.88 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -64.54 -11.44 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' O ' HBD1 ' A' ' 111' ' ' HEC . 0.4 OUTLIER -122.78 101.77 39.13 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.86 38.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.483 ' CG1' HMD2 ' A' ' 111' ' ' HEC . 59.4 t -144.63 152.46 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 51.1 t -123.38 113.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.636 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 59.3 t80 -100.1 173.85 6.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -147.11 139.83 24.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -96.29 -14.05 22.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.59 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 p -85.24 -4.51 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.45 ' CG2' HBA2 ' A' ' 110' ' ' HEC . 30.6 m -103.79 -32.99 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.636 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 60.5 m80 -100.13 34.87 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.609 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -68.07 -36.67 80.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -12.57 60.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 t -87.36 141.37 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.0 133.77 45.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 m -57.14 -30.87 64.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 108.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.63 -4.06 87.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 10.9 t0 -79.25 -30.25 43.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.405 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.7 m -108.48 -53.95 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -78.23 54.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 33.5 p80 -42.11 149.45 0.43 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.632 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 124.34 8.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.572 ' CG2' ' CE1' ' A' ' 35' ' ' HIS . 61.5 t -115.69 118.64 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 21.9 t30 83.56 -3.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.82 -3.03 52.47 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -104.82 145.28 30.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.58 126.49 54.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.58 167.16 26.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.549 ' CE2' ' HD2' ' A' ' 2' ' ' PRO . 17.0 m-30 -106.07 89.91 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 172.18 8.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.69 136.32 35.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.66 -50.43 73.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 108.298 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.48 51.61 3.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -94.55 131.77 39.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 110.436 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.73 105.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.01 -10.51 11.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m -108.77 -94.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -105.02 68.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.559 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -131.27 74.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.4 p -113.35 -34.62 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.73 33.02 15.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -116.02 68.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.424 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -41.38 -51.75 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -93.35 86.24 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -160.56 -59.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt 62.85 131.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.27 -66.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.71 -51.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -65.32 -16.67 63.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.05 93.59 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -53.15 -39.87 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.747 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 1.3 t80 -81.26 1.06 34.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.493 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.4 t60 -100.54 -24.03 14.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.517 HG13 ' C4A' ' A' ' 109' ' ' HEC . 3.0 m -94.31 8.64 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.9 mmt -118.18 -12.44 10.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.2 m80 -134.54 -62.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.625 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.8 OUTLIER -37.93 119.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -26.1 20.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -79.62 71.1 6.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.496 ' CG2' ' O2A' ' A' ' 109' ' ' HEC . 40.6 p -132.89 159.01 41.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -65.45 -25.65 67.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -118.59 156.95 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -63.61 127.16 30.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 p -98.48 160.95 13.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.4 m -47.38 -67.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 108.326 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.504 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 72.2 t -63.9 -35.21 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.78 -58.99 9.86 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.78 -44.39 93.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.6 m170 -53.14 -44.49 67.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 76.3 t -56.76 -37.42 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -33.89 62.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.6 t -74.71 -55.35 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.43 92.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.88 -120.41 1.06 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.095 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.37 60.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -111.3 -17.68 13.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 92' ' ' ALA . . . 61.31 146.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . 83.78 -50.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 97' ' ' LEU . 16.2 mmtt -67.0 -44.85 79.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.449 ' CG ' ' OG1' ' A' ' 98' ' ' THR . 8.3 ttpt -64.34 -10.77 26.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.82 -14.8 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.508 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -121.13 4.52 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 93' ' ' LYS . 14.4 mt -123.8 -47.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.449 ' OG1' ' CG ' ' A' ' 94' ' ' LYS . 22.4 p -115.54 6.84 14.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.29 141.43 46.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 15.4 m -78.78 -49.81 12.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -124.65 142.73 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt 67.92 48.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 p -122.19 -175.16 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 4.0 mmtt -74.84 -28.24 60.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.9 m -85.44 -69.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.287 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -92.83 139.23 30.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.549 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.532 ' C2A' ' HG3' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.517 ' C4A' HG13 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.522 ' CHC' HBC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.483 HMD2 ' CG1' ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 140.48 25.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -75.43 170.52 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.7 155.32 89.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.02 169.25 23.02 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.56 177.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.68 173.06 7.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.96 23.69 68.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.461 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.32 100.6 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -109.82 153.74 23.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.443 ' CE ' ' CGD' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -129.23 116.98 19.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 4.8 tm-20 -110.42 67.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.1 -14.59 22.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.434 ' N ' ' O2D' ' A' ' 111' ' ' HEC . 14.3 p -126.57 177.35 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -65.27 -11.25 39.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.95 100.84 33.08 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.31 39.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.564 1.823 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.524 HG23 ' C1D' ' A' ' 111' ' ' HEC . 82.8 t -141.87 154.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 47.7 t -120.32 114.76 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -101.41 163.36 12.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -142.97 139.25 30.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.307 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -94.96 -20.74 19.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.409 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -76.79 -1.23 27.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.039 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 m -106.33 -36.7 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.398 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.45 ' CG ' HBC1 ' A' ' 108' ' ' HEC . 56.5 m80 -97.38 33.49 1.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 19.7 mtpt -66.95 -36.56 82.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.6 p -74.85 -15.27 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -86.6 143.56 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.32 139.59 46.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 m -62.09 -29.63 70.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 108.368 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.15 -2.79 87.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.485 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 21.5 t0 -81.11 -33.57 33.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.2 m -105.06 -55.72 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 108.298 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.49 58.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.498 ' CE1' HG21 ' A' ' 37' ' ' VAL . 25.7 p80 -42.66 149.01 0.5 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.589 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 109.56 2.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.498 HG21 ' CE1' ' A' ' 35' ' ' HIS . 24.8 t -84.78 97.74 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m120 61.45 44.32 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.92 -0.16 67.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 12.3 mttm -87.43 112.59 22.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.44 91.82 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.43 169.5 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.567 ' CE2' HMB2 ' A' ' 108' ' ' HEC . 18.5 m-30 -103.08 91.29 4.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -123.28 174.91 7.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 134.4 34.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.404 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.3 m -58.59 -48.2 81.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.35 51.08 3.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.58 132.05 41.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.756 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.64 109.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.41 -13.68 15.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.1 m -104.85 -91.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -109.17 69.8 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -131.88 76.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 t -106.78 -28.37 10.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.29 35.25 19.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -136.5 76.86 1.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.477 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -42.99 -45.59 5.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -81.96 59.76 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -162.18 97.44 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.53 142.75 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 t 169.47 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 171.74 -39.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -72.39 -6.11 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.65 93.66 1.26 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -51.97 -41.06 61.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 0.807 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -79.93 -0.48 35.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.4 t60 -99.32 -22.48 15.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.515 HG13 ' C4A' ' A' ' 109' ' ' HEC . 2.3 m -96.05 9.4 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.5 mmt -118.58 -11.89 9.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 71' ' ' ASP . 6.9 m80 -136.25 -63.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -36.38 134.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' THR . 1.1 mtpm? -94.17 -43.57 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.93 82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.475 ' HA ' ' CGA' ' A' ' 109' ' ' HEC . 64.1 p -145.03 149.75 35.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -22.55 67.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -119.17 157.82 27.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -67.07 128.23 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.99 162.09 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.6 m -48.79 -66.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 108.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 70.6 t -63.65 -36.36 76.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.22 -59.3 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.1 t -63.43 -45.69 89.76 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -52.92 -44.06 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.591 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 69.0 t -57.1 -37.58 56.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -34.27 61.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.5 t -73.5 -53.98 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.77 85.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.41 -108.62 1.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.55 17.27 18.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.88 84.52 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -47.63 -48.77 28.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -45.07 -27.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 97' ' ' LEU . 2.8 mmtp -102.38 -40.01 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.423 ' CG ' ' HA ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -64.33 -9.5 18.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -100.9 -19.31 15.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.402 ' O ' HD22 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -113.74 1.39 14.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 93' ' ' LYS . 13.3 mt -122.89 -52.35 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.436 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 21.3 p -109.88 10.84 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.07 147.54 50.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.3 m -84.12 -39.38 19.55 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -136.63 149.35 47.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.01 37.57 9.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.12 -172.57 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.519 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 14.7 mmtt -74.6 -28.52 60.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 11.5 m -89.28 -66.99 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -94.7 146.58 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.567 HMB2 ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.515 ' C4A' HG13 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.519 ' CMA' ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.524 ' C1D' HG23 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 3' ' ' LYS . 18.1 Cg_endo -75.03 -1.06 10.74 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER 40.07 -158.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.67 153.26 50.03 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -74.99 177.83 8.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.86 -179.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.99 169.12 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.09 26.14 56.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.449 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.49 98.87 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 3.2 ttpt -104.99 145.89 29.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.473 ' HE2' ' CGD' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -124.16 103.75 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 2.3 tm-20 -101.92 65.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.28 -13.35 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.4 ' OG1' ' O1D' ' A' ' 111' ' ' HEC . 70.0 p -131.67 177.32 7.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -63.9 -14.91 57.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.27 97.69 50.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.27 42.41 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.556 1.819 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG23 ' C1D' ' A' ' 111' ' ' HEC . 61.7 t -141.5 146.34 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 46.0 t -113.14 115.42 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.432 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 81.8 t80 -104.9 162.81 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -141.42 145.78 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -97.53 -24.96 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.597 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 m -73.0 -4.32 31.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.7 m -104.05 -32.66 9.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.423 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -101.44 35.23 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -67.79 -43.76 78.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.1 p -66.95 -14.07 62.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -87.87 142.79 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -75.04 141.83 43.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.98 -32.9 74.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.358 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.56 -2.85 76.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.494 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 16.9 t0 -82.62 -31.98 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.6 m -106.49 -56.16 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.246 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -76.14 59.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.51 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 28.5 p80 -44.28 149.38 0.73 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 128.08 11.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.51 ' CG2' ' CE1' ' A' ' 35' ' ' HIS . 81.0 t -118.25 118.78 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 20.2 t30 82.23 -1.68 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.52 -2.39 53.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -103.51 153.17 20.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.78 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.9 121.11 33.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -147.45 156.65 43.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.525 ' HB3' ' C3A' ' A' ' 108' ' ' HEC . 14.1 m-85 -90.79 97.86 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 172.36 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.07 135.6 33.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.435 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.6 m -57.22 -49.94 74.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.24 51.9 3.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -93.25 131.81 38.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.11 103.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.97 -8.37 10.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.5 m -109.3 -95.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -103.53 74.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.605 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -132.2 79.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.1 p -108.63 -27.35 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 40.4 35.62 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -109.27 -42.04 4.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.37 -65.04 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.7 mmtp -72.26 63.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' SER . 30.5 p-10 -173.7 54.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' ASP . 16.3 mmtt -40.12 97.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.593 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 14.1 p -152.38 172.98 15.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.48 -48.98 71.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -64.98 -19.91 66.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.16 88.65 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.25 -36.93 44.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.539 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 1.1 t80 -80.64 -2.88 48.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 61' ' ' SER . 1.0 OUTLIER -99.55 -18.37 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.565 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.476 HG13 ' C4A' ' A' ' 109' ' ' HEC . 2.7 m -97.48 9.2 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.4 ' SD ' ' SG ' ' A' ' 79' ' ' CYS . 11.4 mmt -119.79 -8.83 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.0 m80 -136.7 -62.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.7 t70 -38.49 140.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 74' ' ' THR . 7.8 mttm -105.78 -33.99 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -69.01 66.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.479 ' CB ' ' CGA' ' A' ' 109' ' ' HEC . 63.0 p -130.63 152.06 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -64.37 -26.32 68.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -114.46 155.97 25.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 126.17 27.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 p -98.83 155.68 17.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' SG ' ' SD ' ' A' ' 69' ' ' MET . 55.5 m -42.69 -66.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.331 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 92.7 t -63.46 -37.84 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.94 -59.77 7.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.61 -45.01 92.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.5 m170 -53.06 -44.54 67.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.58 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 72.5 t -56.15 -36.37 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -34.12 59.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.421 ' CG1' HMD2 ' A' ' 110' ' ' HEC . 59.3 t -74.53 -54.25 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 88' ' ' GLY . . . -64.59 -20.81 66.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . 35.91 -128.83 0.87 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.22 73.15 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -153.05 89.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -42.01 -50.34 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.38 -62.85 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -65.1 -32.25 73.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -1.39 20.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -119.01 -4.12 10.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.62 -40.12 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.5 mt -87.87 -30.84 19.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.462 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 23.5 p -128.18 14.28 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.6 152.68 51.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.5 ' SG ' ' CMB' ' A' ' 111' ' ' HEC . 1.3 m -90.65 -56.33 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 139.81 53.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 69.48 47.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.7 -172.46 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -74.86 -30.21 61.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 82.3 m -84.02 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -96.74 143.07 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.525 ' C3A' ' HB3' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.502 ' CGD' ' CMD' ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.52 ' CHC' HBC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.5 ' CMB' ' SG ' ' A' ' 100' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.566 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 18.1 Cg_endo -75.08 -175.74 2.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -88.75 160.41 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.09 154.5 86.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -75.05 167.01 27.94 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.779 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.83 -179.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.72 178.72 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.15 26.65 73.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD13 ' CBD' ' A' ' 108' ' ' HEC . 0.3 OUTLIER -74.89 97.4 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 13.0 ttpp -101.48 144.58 30.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.504 ' CE ' ' CGD' ' A' ' 108' ' ' HEC . 1.4 ptp -120.79 106.35 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 4.1 tm-20 -105.03 68.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.87 -11.42 21.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.404 ' OG1' ' O2D' ' A' ' 111' ' ' HEC . 71.7 p -132.22 176.5 8.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -64.07 -14.19 52.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' O ' HBD1 ' A' ' 111' ' ' HEC . 0.8 OUTLIER -120.78 97.97 48.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 161.98 37.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.5 t -144.06 153.08 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 53.3 t -117.72 117.58 55.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -106.9 165.1 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -141.16 148.9 40.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -102.31 -18.69 15.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.552 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -80.62 -3.53 50.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.465 HG22 ' CGA' ' A' ' 110' ' ' HEC . 23.0 m -102.68 -33.02 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.416 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 63.9 m80 -100.88 35.68 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.537 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -67.06 -43.26 83.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.4 p -69.13 -12.84 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.7 t -87.29 139.49 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.61 134.5 46.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 m -57.46 -29.21 64.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.43 -4.0 88.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 16.7 t0 -79.49 -33.5 42.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 0.798 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.84 -55.12 2.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' HIS . 94.2 m-70 -76.15 56.81 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.404 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 20.6 p80 -39.64 148.07 0.31 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 119.69 5.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 46.2 t -102.75 114.36 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.9 t30 82.48 -5.56 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.85 0.63 34.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -108.11 144.31 35.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.3 136.47 43.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.51 164.06 35.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CD2' ' HD2' ' A' ' 2' ' ' PRO . 13.5 m-30 -120.34 79.91 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.06 -179.37 3.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.41 1.069 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -81.81 135.92 35.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 m -60.93 -48.85 79.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.284 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.25 52.84 2.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.15 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -96.73 132.72 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.85 108.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.81 -13.35 13.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.1 m -105.29 -95.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -103.78 68.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.619 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -131.23 77.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.6 p -112.17 -26.15 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.8 34.97 20.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' CB ' ' HB2' ' A' ' 59' ' ' ASP . 58.4 m-20 -130.52 76.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.522 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -40.15 -57.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 66.73 5.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 15.0 t0 -141.27 -56.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.7 OUTLIER 66.08 -145.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER 84.5 -70.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.033 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.71 -46.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -64.97 -12.13 46.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.73 92.55 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.422 ' OH ' ' SD ' ' A' ' 11' ' ' MET . 83.3 t80 -53.39 -37.11 62.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -86.02 0.79 52.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.5 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.1 t60 -99.41 -28.77 13.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.518 HG13 ' C4A' ' A' ' 109' ' ' HEC . 3.2 m -88.26 9.74 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.9 mmt -118.96 -12.21 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.3 m80 -135.11 -60.74 0.76 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.3 t70 -37.84 128.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.47 -27.06 13.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -77.95 63.06 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.481 HG21 ' CE1' ' A' ' 67' ' ' HIS . 42.6 p -125.95 156.26 40.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.441 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -64.95 -24.57 67.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -117.28 158.78 23.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -66.26 124.36 22.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 p -96.64 157.67 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 57.3 m -43.55 -67.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 108.252 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.515 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 96.1 t -63.8 -39.05 84.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.71 -58.93 7.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.42 -45.26 91.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 12.7 m170 -52.77 -43.79 66.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.536 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 90.1 t -56.65 -37.57 53.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -34.23 62.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 66.0 t -75.1 -55.66 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.55 94.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 39.86 -135.02 1.93 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -98.59 58.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -109.28 -19.08 13.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 92' ' ' ALA . . . 60.36 150.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . 81.92 -52.14 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 97' ' ' LEU . 33.5 mttt -68.11 -41.9 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -10.94 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.47 -14.14 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 0.7 OUTLIER -122.77 5.31 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 93' ' ' LYS . 13.3 mt -123.53 -45.39 2.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.464 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 15.5 p -120.13 6.86 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.89 151.75 29.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.25 -44.95 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -129.28 140.46 51.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.93 50.04 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.27 -174.77 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 1.5 mmmt -75.3 -30.06 60.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.2 m -83.5 -65.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 108.295 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -95.59 133.17 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.53 ' C3A' ' HB3' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.518 ' C4A' HG13 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.518 ' CHC' HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.464 ' CMC' ' HA ' ' A' ' 98' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 142.74 28.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -77.85 164.57 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.74 154.95 84.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.416 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -75.06 161.87 37.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.18 -170.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -101.9 169.85 8.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.75 11.17 66.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.6 tm? -74.68 96.16 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.484 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -107.36 159.72 16.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.479 ' HG2' ' CGD' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -111.38 131.61 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.527 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 2.1 tm-20 -128.87 63.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.35 -17.28 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 p -127.68 177.64 6.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -70.47 -6.51 36.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.14 89.65 47.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.434 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 175.88 10.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 17' ' ' PRO . 79.6 t -155.21 146.66 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 76.7 t -105.77 116.24 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -99.82 172.71 7.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -151.23 144.82 24.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -99.79 -22.51 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.567 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.8 -3.06 32.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 m -104.67 -34.12 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.366 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -100.06 34.91 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.616 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -66.95 -44.44 80.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.8 p -67.07 -15.86 63.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 t -85.02 141.03 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.24 139.13 47.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -61.51 -34.33 75.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.82 -2.18 69.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 15.2 t0 -82.01 -32.38 30.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -105.51 -55.23 2.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -76.26 61.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -47.26 149.19 1.87 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.579 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.31 12.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 49.9 t -114.6 112.81 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 9.4 t-20 84.02 -4.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.75 0.05 42.4 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.94 136.71 46.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.49 144.93 32.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.243 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -168.19 167.03 12.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CE2' HMB2 ' A' ' 108' ' ' HEC . 17.3 m-30 -104.06 94.83 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.62 176.42 6.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.76 134.77 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.422 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.4 m -58.17 -49.57 76.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.09 51.54 3.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -93.25 131.4 38.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.359 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.68 103.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.89 -8.6 10.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.7 m -108.49 -94.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -105.35 75.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.625 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -134.25 76.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.54 -40.33 6.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.49 34.49 23.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.54 -34.0 5.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.509 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 6.8 tmtt? 70.53 -61.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 66.23 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -144.26 -52.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.1 mttm 69.27 -119.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.9 t 65.47 -74.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -177.47 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -64.96 -21.13 66.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.06 98.57 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -58.24 -40.3 81.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 0.733 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -77.92 -1.42 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.3 t60 -98.92 -23.4 15.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.505 HG11 ' C3A' ' A' ' 109' ' ' HEC . 2.8 m -94.59 8.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.401 ' SD ' ' SG ' ' A' ' 79' ' ' CYS . 11.8 mmt -117.81 -13.55 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' ASP . 14.7 m80 -131.61 -63.02 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.3 t70 -38.53 139.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -106.92 -33.87 7.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -69.79 63.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.504 ' CG2' ' O1A' ' A' ' 109' ' ' HEC . 57.5 p -125.96 154.79 42.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 110.434 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -25.49 68.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -117.14 156.19 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 126.2 26.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.7 p -99.39 158.24 15.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.401 ' SG ' ' SD ' ' A' ' 69' ' ' MET . 42.5 m -44.68 -66.96 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 108.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 96.9 t -63.21 -36.21 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.6 -60.14 8.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.89 -44.65 92.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.1 m170 -53.11 -44.6 67.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 72.6 t -57.44 -37.91 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -34.56 62.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.469 ' CG1' HMD1 ' A' ' 110' ' ' HEC . 95.1 t -73.24 -53.06 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 93' ' ' LYS . . . -64.59 -22.38 66.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . 36.91 -118.57 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -100.48 74.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 0.755 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 91' ' ' ALA . 37.4 t0 -155.06 91.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -39.93 -53.36 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.45 -64.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 87' ' ' ALA . 35.2 mtmt -64.48 -32.39 74.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -69.5 -7.64 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -125.14 -4.26 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.54 -28.69 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 93' ' ' LYS . 40.7 mt -104.65 -29.28 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.475 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 26.2 p -127.45 20.57 6.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.429 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.89 144.09 34.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 26.9 m -82.16 -58.85 2.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -121.46 143.78 49.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.9 49.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.2 -173.34 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -75.61 -28.42 58.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 89.6 m -83.71 -62.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -100.71 141.93 32.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.654 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.57 HMB2 ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.505 ' C3A' HG11 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.518 ' CHC' HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.475 ' CMC' ' HA ' ' A' ' 98' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 158.7 41.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.22 177.11 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.79 151.61 94.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -74.98 169.18 23.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.92 -179.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.27 179.86 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.48 15.73 80.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.7 tm? -77.27 96.93 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -106.43 162.67 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.501 ' HG2' ' CGD' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -115.93 130.16 56.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.9 tm-20 -127.92 63.83 1.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.58 -18.49 14.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 p -125.34 -179.19 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -73.32 -4.56 34.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -132.03 90.9 34.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.436 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.02 176.22 10.2 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 17' ' ' PRO . 78.8 t -155.3 146.59 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 71.8 t -106.61 117.3 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.437 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 29.5 t80 -95.97 178.34 5.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 20' ' ' PHE . 23.8 m-80 -162.54 120.36 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -77.92 -19.65 54.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.587 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 t -76.66 -0.53 23.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.431 ' CG2' ' CGA' ' A' ' 110' ' ' HEC . 22.4 m -108.06 -31.46 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -103.01 36.33 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.587 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -66.93 -42.9 84.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.8 p -69.3 -13.79 62.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.4 t -87.04 142.27 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 144.92 43.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -65.71 -31.77 72.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.92 -2.8 83.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 13.9 t0 -80.57 -34.92 34.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.92 -55.29 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 108.34 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -74.87 58.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 23.3 p80 -43.18 148.95 0.57 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.629 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.48 20.43 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 76.7 t -127.85 116.8 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 20.6 t30 82.18 -2.34 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.72 -0.08 52.51 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -106.32 145.49 31.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -119.16 120.45 37.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.29 170.16 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.525 ' HB3' ' C3A' ' A' ' 108' ' ' HEC . 18.1 m-85 -106.68 93.3 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -127.79 156.0 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.51 134.93 54.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.8 -48.38 81.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.49 52.04 3.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.14 131.76 43.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.64 109.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.31 -15.34 11.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.3 m -105.15 -90.93 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -108.26 63.22 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.635 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -120.3 60.38 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.7 t -92.2 -48.66 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.28 35.03 15.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 111.042 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' LYS . 77.7 m-20 -99.91 -38.6 8.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.44 -74.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -81.81 70.16 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.89 -61.97 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 67.37 124.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.17 -63.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -177.94 -52.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -19.29 65.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.95 95.27 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.406 ' OH ' ' O2D' ' A' ' 111' ' ' HEC . 56.6 t80 -51.92 -45.33 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.608 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 2.2 t80 -75.02 -0.56 19.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.454 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -100.26 -16.07 17.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.514 HG13 ' C4A' ' A' ' 109' ' ' HEC . 2.4 m -104.28 8.23 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.4 mmt -116.72 -14.4 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.9 m80 -132.31 -63.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.63 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -37.97 124.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.92 -33.04 13.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -70.53 63.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.487 ' HB ' ' CGA' ' A' ' 109' ' ' HEC . 45.7 p -125.93 156.14 40.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -23.88 67.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -120.14 156.51 30.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.71 126.74 28.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 p -99.46 162.01 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.1 m -46.98 -67.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 80.7 t -63.63 -36.72 77.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.38 -58.53 9.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.83 -44.79 92.17 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.5 m170 -52.94 -44.24 66.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 94.5 t -56.64 -37.92 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -33.94 63.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.462 HG12 ' CMD' ' A' ' 110' ' ' HEC . 93.0 t -73.7 -52.03 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.461 ' HB2' ' CD ' ' A' ' 94' ' ' LYS . . . -69.91 -7.73 42.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . -36.87 121.2 0.72 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 56.55 66.65 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -156.01 -47.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 73.94 -71.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.65 -41.21 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 97' ' ' LEU . 8.8 mmpt? -69.16 -39.01 79.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' CD ' ' HB2' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -65.68 -8.85 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.07 -14.48 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.68 4.19 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 93' ' ' LYS . 20.8 mt -126.59 -50.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.454 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 24.7 p -111.51 6.21 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.1 146.66 35.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.4 m -85.99 -53.18 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -129.55 133.3 47.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER 82.07 41.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.87 -172.68 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -74.7 -28.17 60.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 72.9 m -84.58 -65.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.285 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -99.92 129.47 46.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.589 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.525 ' C3A' ' HB3' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.514 ' C4A' HG13 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.504 ' C1C' HBC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.479 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.445 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.622 ' CD ' ' CD2' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.97 -77.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.28 140.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.7 142.36 98.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 160.0 40.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.83 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -88.7 169.26 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.91 16.65 62.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.485 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.79 103.44 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -110.86 156.71 20.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.409 ' O ' ' CGD' ' A' ' 111' ' ' HEC . 0.0 OUTLIER -129.68 112.14 13.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 3.6 tm-20 -107.35 66.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.88 -13.48 22.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.413 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 13.3 p -128.28 176.6 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -64.93 -11.44 38.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.401 ' O ' HBD1 ' A' ' 111' ' ' HEC . 1.3 mm100 -124.25 99.8 36.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.32 35.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 HG23 ' C1D' ' A' ' 111' ' ' HEC . 76.3 t -145.3 152.74 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 43.7 t -118.8 115.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.486 ' CE2' ' CHD' ' A' ' 108' ' ' HEC . 35.2 t80 -96.01 176.07 6.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -152.74 140.95 20.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -101.46 -19.95 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.61 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.75 -4.19 53.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.402 ' CG2' ' O1A' ' A' ' 110' ' ' HEC . 24.4 m -103.68 -33.51 8.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -99.26 34.49 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.651 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -67.15 -39.06 86.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.1 p -72.92 -12.07 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.1 t -89.16 139.14 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.01 138.72 54.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.4 m -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.24 -0.46 89.75 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.497 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 27.0 t0 -82.13 -25.85 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.404 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.7 m -112.96 -55.05 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 108.316 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -75.22 61.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 23.0 p80 -45.22 148.06 1.16 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 118.76 5.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -84.53 -72.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.86 38.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.53 1.06 60.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 126.37 51.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.05 85.76 2.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -80.07 162.32 24.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.622 ' CD2' ' CD ' ' A' ' 2' ' ' PRO . 64.9 m-85 -118.2 85.03 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 176.16 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.23 141.2 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.4 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 2.7 m -64.47 -54.64 29.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.39 54.45 1.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.157 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.17 139.63 38.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.71 123.94 14.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.0 -25.88 24.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.2 m -95.12 -108.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 98.8 m-70 -93.63 70.96 4.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.37 18.14 20.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 7.7 t -81.48 103.62 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.28 35.51 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -106.23 59.78 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.436 ' HG3' ' CD2' ' A' ' 66' ' ' TYR . 2.4 tttt -41.39 -36.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -94.93 66.66 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -156.34 -46.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.152 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.45 100.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -164.72 169.08 17.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.522 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -50.92 -52.03 46.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 11.0 mttm -64.38 -24.07 67.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.12 89.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.402 ' OH ' ' O2D' ' A' ' 111' ' ' HEC . 59.5 t80 -49.28 -43.33 43.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.605 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 3.5 t80 -77.65 0.57 22.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 61' ' ' SER . 1.9 t60 -103.83 -11.46 17.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.485 ' CG1' ' C3A' ' A' ' 109' ' ' HEC . 2.3 m -107.66 8.07 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.4 mmt -118.69 -10.48 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' ASP . 11.4 m80 -134.93 -61.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.8 OUTLIER -38.89 137.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 74' ' ' THR . 11.4 mttt -104.67 -34.45 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -69.54 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.5 ' CG2' ' O1A' ' A' ' 109' ' ' HEC . 62.1 p -127.02 153.38 46.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HE3' ' CZ ' ' A' ' 76' ' ' PHE . 22.0 ttpt -64.75 -24.76 67.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 57.8 m-85 -116.47 157.61 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -65.31 125.71 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 p -99.08 155.71 17.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.3 m -43.44 -66.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 93.1 t -63.22 -35.82 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.79 -60.32 8.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 44.0 t -63.89 -45.06 91.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.5 m170 -52.9 -44.41 66.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 54.3 t -56.23 -38.29 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -34.27 62.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.0 t -73.06 -53.51 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.86 -34.14 77.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.86 -110.24 0.91 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.22 62.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 12.3 t70 -109.2 -22.53 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 90' ' ' ASP . . . 80.56 -77.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.62 -53.7 2.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -68.8 -35.5 77.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -64.42 -10.73 26.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.05 -7.68 10.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -112.7 -8.43 13.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 93' ' ' LYS . 16.0 mt -120.24 -43.01 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.442 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 18.7 p -117.93 19.47 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.21 156.24 45.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.36 -44.72 6.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.69 140.91 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 mttp 66.85 46.65 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.47 -173.43 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 9.9 mmtm -74.73 -30.09 61.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 64.3 m -82.74 -64.11 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -96.08 145.55 25.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.497 HBC1 ' CHC' ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.5 ' O1A' ' CG2' ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.497 ' CBC' ' OD1' ' A' ' 32' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.518 ' C1D' HG23 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 143.24 28.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -75.41 158.48 32.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.4 152.21 89.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.48 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.1 Cg_endo -74.99 155.02 42.93 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.92 177.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -88.92 163.61 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.03 17.19 35.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.24 93.62 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -89.12 147.27 24.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.516 ' CE ' ' CGD' ' A' ' 108' ' ' HEC . 25.2 mtp -115.9 94.58 4.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 8.3 tm-20 -103.01 65.0 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.62 -13.69 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.445 ' N ' ' O2D' ' A' ' 111' ' ' HEC . 11.9 p -129.55 176.61 7.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -64.77 -11.16 33.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -128.22 96.78 30.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 165.86 30.46 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -148.69 150.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.4 t -116.1 113.08 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -96.62 174.59 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -148.01 133.83 19.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -91.39 -10.58 40.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 m -88.82 -4.29 58.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.8 m -103.26 -31.89 9.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -101.49 35.31 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -67.5 -38.2 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.9 p -73.07 -14.35 61.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.6 t -86.5 139.38 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.3 136.68 50.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.4 m -59.06 -30.88 68.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.257 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.93 -2.86 87.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.508 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 19.8 t0 -80.21 -28.59 38.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.39 -54.39 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.324 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -76.91 56.12 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.407 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 30.6 p80 -42.31 148.65 0.5 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.659 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.83 7.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 24.9 t -106.28 113.68 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.9 t30 84.35 -6.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.44 1.4 33.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -107.95 145.14 34.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.22 137.52 46.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -157.75 162.16 38.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.529 ' HB3' ' C3A' ' A' ' 108' ' ' HEC . 15.6 m-30 -108.19 88.63 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -122.68 176.11 6.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 133.9 35.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.403 ' SG ' ' CMD' ' A' ' 108' ' ' HEC . 3.4 m -57.42 -46.57 83.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.86 50.49 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.7 140.4 31.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.351 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.87 122.13 10.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.33 -25.1 27.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.9 m -95.02 -109.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.42 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 99.8 m-70 -93.75 69.95 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.58 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.02 20.31 18.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.48 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 4.4 t -80.49 102.49 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.98 34.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' LYS . 7.6 t0 -116.68 75.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -40.23 -55.05 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 58' ' ' LYS . 2.0 mtmp? -73.77 64.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -173.92 93.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 141.83 28.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.1 p 179.38 -61.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.42 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -178.99 -50.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 10.1 mtmt -64.69 -22.63 67.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.52 95.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.459 ' O ' ' CG ' ' A' ' 69' ' ' MET . 69.9 t80 -54.97 -43.52 73.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 2.6 t80 -77.11 2.14 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.496 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.5 t60 -102.21 -31.94 10.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.508 HG13 ' C4A' ' A' ' 109' ' ' HEC . 3.5 m -88.06 8.96 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 4.0 mmt -120.13 -10.67 9.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 71' ' ' ASP . 15.2 m80 -135.5 -60.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.9 t70 -39.42 134.31 1.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -102.04 -34.25 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -71.34 62.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.488 ' CG2' ' O2A' ' A' ' 109' ' ' HEC . 41.9 p -124.29 154.97 39.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -64.6 -23.36 67.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -119.93 156.9 29.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -65.06 125.08 23.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 p -97.47 159.47 14.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.941 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 54.2 m -44.89 -67.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 108.268 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 71.5 t -63.6 -36.74 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.95 -59.51 8.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.9 -45.19 90.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.3 m170 -52.67 -44.36 66.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 78.1 t -55.04 -38.29 45.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -34.09 61.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.427 HG12 ' CMD' ' A' ' 110' ' ' HEC . 73.2 t -72.51 -53.32 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.79 -31.28 72.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.71 -105.71 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.28 60.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 3.6 t70 -106.09 -23.19 12.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 90' ' ' ASP . . . 80.57 -73.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.03 -55.95 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 97' ' ' LEU . 10.1 mtmm -65.06 -32.43 74.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -11.81 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.76 -4.41 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.96 -13.26 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 93' ' ' LYS . 28.5 mt -116.95 -39.56 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.445 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 18.1 p -119.15 19.16 12.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.49 147.21 46.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.2 m -87.16 -49.06 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.56 140.25 50.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 69.85 47.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.59 -173.16 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -74.48 -29.92 61.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 75.2 m -83.62 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.281 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -98.17 128.61 44.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.529 ' C3A' ' HB3' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.508 ' C4A' HG13 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.526 ' CHC' HBC2 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.499 ' CGD' ' O ' ' A' ' 11' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -17.08 19.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt 55.9 178.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.03 148.01 91.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.519 ' HD3' ' C4A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.0 168.03 25.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 169.32 2.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -83.32 166.44 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.9 18.88 45.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.3 92.97 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -89.29 143.95 26.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.488 ' CE ' ' CGD' ' A' ' 108' ' ' HEC . 19.8 mtp -111.64 96.25 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 5.3 tm-20 -105.26 65.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.18 -10.48 14.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.446 ' N ' ' O2D' ' A' ' 111' ' ' HEC . 12.4 p -132.83 176.24 8.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -10.34 33.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -128.42 94.69 34.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 11' ' ' MET . 18.3 Cg_endo -74.97 166.46 29.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.5 t -150.02 151.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.5 t -116.47 112.74 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 87.3 t80 -95.98 168.46 10.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -139.89 131.91 27.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -90.42 -8.2 51.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -92.33 -5.38 52.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 m -101.95 -30.66 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.471 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 59.2 m80 -101.96 35.14 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.39 -40.18 85.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 p -70.24 -13.3 62.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.66 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 137.07 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -58.25 -31.35 67.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.01 -4.52 83.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.493 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 19.5 t0 -78.46 -35.03 47.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.2 m -104.69 -54.68 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -75.94 73.17 2.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CE1' HG21 ' A' ' 37' ' ' VAL . 30.9 p80 -63.88 148.28 95.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.544 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 109.19 2.88 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.516 HG21 ' CE1' ' A' ' 35' ' ' HIS . 86.4 t -84.69 86.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.86 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.85 3.64 5.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.509 ' NZ ' ' CG1' ' A' ' 37' ' ' VAL . 3.0 mttp -96.58 137.47 35.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.22 78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -141.23 46.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.52 ' HB3' ' C4A' ' A' ' 108' ' ' HEC . 1.8 m-30 45.51 89.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.53 174.5 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 130.72 35.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.58 -46.32 89.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.323 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.0 51.29 3.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -94.72 131.52 40.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.7 108.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.48 -12.44 13.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.7 m -105.58 -91.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -107.78 65.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.652 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -126.42 76.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 t -108.15 -32.28 7.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.51 35.6 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -138.43 82.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.511 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -47.94 -53.69 15.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -73.48 59.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -164.45 88.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.34 141.16 28.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.0 p 174.35 -60.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 177.29 -48.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -64.57 -19.26 65.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.12 92.88 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.413 ' OH ' ' O1D' ' A' ' 111' ' ' HEC . 61.3 t80 -52.02 -37.8 54.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.556 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 1.0 OUTLIER -81.73 -1.35 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.461 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -99.51 -17.78 17.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.631 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.507 HG13 ' C4A' ' A' ' 109' ' ' HEC . 1.6 m -100.49 8.28 8.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.6 mmt -118.92 -9.59 10.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 71' ' ' ASP . 11.3 m80 -135.44 -63.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.66 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -38.2 131.49 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.85 -34.24 10.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -71.0 65.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.504 ' CG2' ' O2A' ' A' ' 109' ' ' HEC . 45.5 p -126.6 156.1 41.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -64.33 -24.97 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -120.25 155.19 33.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.74 127.03 29.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.31 163.05 12.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.047 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 57.9 m -48.18 -66.61 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.335 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 96.2 t -63.51 -39.09 84.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.4 -58.68 7.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.73 -46.09 86.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.2 m170 -51.95 -44.32 63.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 109.566 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 93.8 t -54.93 -37.33 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -33.96 60.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.2 t -73.23 -51.55 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -64.81 -28.4 69.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.48 -121.95 1.19 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.065 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.36 46.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' ALA . 32.5 t0 -124.88 88.33 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -45.89 -55.55 6.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . -38.92 -61.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 97' ' ' LEU . 4.1 mtmp? -65.46 -33.53 76.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -64.45 -9.97 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -5.2 11.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.69 -0.51 10.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' LYS . 22.4 mt -125.81 -49.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.441 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 21.6 p -109.76 9.58 24.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.41 148.24 37.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.45 -58.39 2.6 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -119.58 142.65 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 66.3 49.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.81 -173.31 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -74.71 -29.11 61.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.11 -62.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -100.29 139.87 35.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.539 HBC1 ' CHC' ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.507 ' C4A' HG13 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.539 ' CHC' HBC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.452 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -75.01 -14.6 21.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.69 178.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.65 153.33 81.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HD3' ' C4A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -74.97 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.78 -166.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -103.61 168.82 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.99 10.57 75.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.2 tm? -74.56 95.68 2.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.55 161.84 14.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.487 ' HG2' ' CGD' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -115.49 128.55 56.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 4.1 tm-20 -127.08 62.52 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.51 -20.3 15.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p -123.84 -178.77 4.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -72.97 -4.83 34.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.47 90.81 39.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 18.4 Cg_endo -75.0 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 17' ' ' PRO . 69.0 t -155.25 147.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 73.1 t -105.9 115.22 47.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -100.52 162.0 13.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -139.72 146.07 39.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -100.53 -20.59 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.581 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 t -78.74 -0.91 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.9 m -105.32 -32.75 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.403 ' CG ' HBC3 ' A' ' 108' ' ' HEC . 64.2 m80 -101.28 35.59 2.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -66.3 -43.71 85.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.1 p -68.27 -15.46 63.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -85.14 141.31 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 137.92 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.45 -34.49 72.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.325 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.61 -2.29 68.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.5 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 15.8 t0 -82.29 -31.7 29.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -106.33 -55.6 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.75 58.12 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 26.0 p80 -42.64 149.28 0.49 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.624 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.18 17.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.807 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 97.7 t -125.45 117.8 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER 80.18 1.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.39 -1.28 58.71 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.71 153.6 19.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -130.26 112.98 13.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -139.71 150.23 44.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.568 ' CE2' HMB2 ' A' ' 108' ' ' HEC . 16.2 m-30 -82.83 96.64 8.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.23 174.36 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.31 136.75 32.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.453 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.3 m -58.92 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.35 52.45 3.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -94.11 133.35 37.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 110.359 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.8 104.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.13 -9.78 11.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.4 m -107.54 -100.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -99.65 75.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -135.44 78.9 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.5 p -106.84 -35.17 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.18 35.38 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' LYS . 16.2 t0 -111.43 -31.22 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.07 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 69.62 -63.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -88.48 64.07 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -135.9 -55.6 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HA ' ' CG ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER 68.72 -139.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 m 77.68 -70.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -177.79 -42.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -64.83 -20.01 66.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.48 100.98 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -59.68 -43.81 93.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.576 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -75.78 -0.09 19.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.475 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.9 t60 -99.84 -20.87 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.595 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.51 HG11 ' C3A' ' A' ' 109' ' ' HEC . 3.0 m -97.33 8.16 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.4 mmt -115.76 -15.18 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.0 m80 -131.6 -63.17 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.614 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -39.38 123.88 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -32.15 15.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.16 71.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.483 ' HB ' ' CGA' ' A' ' 109' ' ' HEC . 44.2 p -135.81 156.05 49.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.363 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -64.69 -25.06 67.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -116.43 159.29 22.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.42 125.75 27.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.5 p -96.03 160.72 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.5 m -48.56 -66.18 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.418 ' HA ' ' HB2' ' A' ' 83' ' ' HIS . 69.1 t -63.66 -37.65 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.44 -58.98 8.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 44.3 t -63.69 -45.67 88.97 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.2 m170 -52.37 -45.01 65.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.561 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 39.2 t -57.25 -37.29 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -32.73 62.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.467 HG12 ' CMD' ' A' ' 110' ' ' HEC . 96.1 t -76.09 -52.46 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' ' 94' ' ' LYS . . . -71.03 -11.26 60.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . -36.79 118.8 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' N ' ' NZ ' ' A' ' 94' ' ' LYS . . . 40.38 90.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -164.68 -43.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 92' ' ' ALA . . . 76.13 145.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . 84.1 -48.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 97' ' ' LEU . 14.1 mmtt -73.11 -39.64 65.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HG3' ' CB ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -63.96 -11.81 31.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.27 -6.56 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.46 5.11 9.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 93' ' ' LYS . 26.9 mt -127.63 -48.68 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.422 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 18.4 p -112.36 5.14 18.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.18 149.0 32.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.59 -56.63 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.71 141.03 52.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 73.35 40.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.78 -174.0 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -74.93 -29.79 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 79.2 m -82.71 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 108.27 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -100.47 138.11 37.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.578 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.568 HMB2 ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.51 ' C3A' HG11 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.519 ' CHC' HBC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.423 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.554 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -75.05 171.31 18.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.5 173.99 6.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.5 154.38 91.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.527 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -74.96 173.06 15.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.61 145.51 44.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.22 147.95 50.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.8 27.63 6.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.15 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.462 ' CD1' HBD2 ' A' ' 108' ' ' HEC . 0.7 OUTLIER -74.5 100.6 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.756 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -91.51 148.1 22.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.582 ' CE ' ' CGD' ' A' ' 108' ' ' HEC . 0.2 OUTLIER -133.39 99.63 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 13.4 tm-20 -105.52 66.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.16 -17.13 28.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.465 HG22 ' CGD' ' A' ' 111' ' ' HEC . 5.1 p -126.39 -179.98 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -64.3 -12.05 37.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.4 ' O ' HBD1 ' A' ' 111' ' ' HEC . 0.2 OUTLIER -123.29 98.87 40.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HB3' ' CG ' ' A' ' 12' ' ' GLU . 18.3 Cg_endo -75.01 157.51 42.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG22 ' C1D' ' A' ' 111' ' ' HEC . 41.8 t -140.07 155.42 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.0 t -122.24 113.59 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -100.43 149.4 23.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -123.51 129.72 51.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -83.09 -24.02 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.609 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.6 p -75.78 -2.08 28.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.0 m -104.0 -33.67 8.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -101.35 36.17 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -68.44 -39.17 81.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.0 -10.79 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.02 141.23 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -72.52 134.1 45.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.65 -36.72 69.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.44 -3.84 59.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.501 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 15.9 t0 -79.85 -33.53 40.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.4 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.7 m -105.16 -54.89 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 94.2 m-70 -76.73 59.41 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 28.6 p80 -45.56 148.64 1.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.587 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.17 7.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -101.55 111.04 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 61.88 14.36 6.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.32 0.23 55.78 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.5 151.41 19.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 0.731 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -174.23 104.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -145.72 48.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.559 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 7.4 m-30 50.03 100.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -135.58 145.34 46.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 135.94 56.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.51 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.1 m -61.9 -53.32 57.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 108.313 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.87 52.61 3.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -94.07 133.35 37.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 110.421 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.78 103.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.11 -9.02 11.28 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.45 1.094 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -107.74 -101.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -97.85 74.63 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.65 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.07 80.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.6 p -112.89 -33.06 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.041 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.59 35.89 15.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 58' ' ' LYS . 55.0 m-20 -109.04 -32.71 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.537 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER 67.17 -76.07 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.0 pttt -75.66 61.38 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -136.37 -58.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.5 OUTLIER 72.12 -142.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER 80.47 -64.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 175.2 -44.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -64.89 -12.81 53.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.68 98.05 1.14 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.153 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.31 -44.42 75.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.601 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 1.0 OUTLIER -74.59 -0.54 18.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -98.07 -19.33 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.612 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.517 HG13 ' C4A' ' A' ' 109' ' ' HEC . 3.8 m -98.14 9.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.9 mmt -118.15 -12.3 10.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.3 m80 -135.81 -63.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -38.03 125.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -29.64 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -70.76 60.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.423 ' HB ' HAA2 ' A' ' 109' ' ' HEC . 44.8 p -125.88 153.84 43.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -64.88 -28.51 69.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 67.2 m-85 -110.07 156.85 20.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -65.59 122.59 17.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.66 159.64 14.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.7 m -45.87 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 75.5 t -63.75 -35.5 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.8 -60.26 8.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.8 t -63.67 -44.97 92.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.7 m170 -52.95 -44.26 66.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 53.0 t -55.46 -38.05 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -34.29 62.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 68.2 t -72.39 -54.03 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.86 -31.1 72.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.63 -107.1 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.14 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.4 63.5 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 66.1 t0 -110.4 -21.86 11.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 90' ' ' ASP . . . 82.21 -72.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.99 -59.12 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 97' ' ' LEU . 6.2 mtmp? -65.93 -32.54 74.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -64.29 -11.72 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -121.84 -5.77 9.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.86 -9.76 13.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 93' ' ' LYS . 18.1 mt -119.49 -40.48 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.402 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 18.6 p -119.75 19.07 12.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.34 155.24 49.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -94.67 -39.19 10.45 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 137.78 31.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.4 tttp 73.87 40.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.97 -171.65 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -74.46 -27.99 60.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.0 m -86.72 -67.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -96.35 147.05 24.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.572 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.648 ' HG3' ' OXT' ' A' ' 107' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.582 ' CGD' ' CE ' ' A' ' 11' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.517 ' C4A' HG13 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.518 ' CHC' HBC2 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.465 ' CGD' HG22 ' A' ' 14' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.64 5.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -88.99 172.03 9.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.95 151.18 93.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.02 172.25 16.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.548 1.814 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.7 171.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -94.27 157.72 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.24 30.28 17.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.482 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -74.69 93.65 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 6.7 tttp -95.99 123.14 39.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.49 ' CE ' ' CGD' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -109.6 109.01 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 8.0 tm-20 -108.97 68.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.17 -17.57 27.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.481 HG22 ' CGD' ' A' ' 111' ' ' HEC . 7.7 p -126.55 179.28 5.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.45 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -64.45 -11.76 36.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.96 96.98 39.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 18.4 Cg_endo -74.95 164.05 34.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG23 ' C1D' ' A' ' 111' ' ' HEC . 63.6 t -142.37 152.05 18.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.443 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 41.5 t -119.36 114.17 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -107.78 138.63 43.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -119.25 113.87 21.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -64.85 -21.4 66.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.579 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.5 p -75.23 -3.53 33.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -103.35 -33.63 9.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -101.67 36.31 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -67.99 -38.19 82.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.4 p -73.17 -15.67 61.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.0 t -85.43 141.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -73.43 142.87 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.55 -31.77 73.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 108.318 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.31 -4.26 78.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 11.9 t0 -80.39 -34.43 36.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -105.43 -55.12 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.319 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -75.87 57.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.559 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -43.27 148.94 0.59 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.593 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.8 t -87.83 -68.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -98.08 34.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.23 -0.18 87.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -118.42 148.71 42.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.75 78.03 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -75.77 127.07 32.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.513 ' HB3' ' C3A' ' A' ' 108' ' ' HEC . 18.7 m-85 -90.0 75.89 7.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.33 175.04 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 128.2 34.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.85 -45.84 71.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 108.264 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.18 51.77 3.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.59 136.36 36.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.74 109.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.91 -16.37 13.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.563 1.165 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 95.2 m -104.38 -100.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -100.06 71.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.557 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -133.4 77.91 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 t -106.01 -35.83 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.56 36.84 21.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -110.37 -45.81 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.28 -61.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 58.32 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' LYS . 18.3 t0 -172.06 56.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASP . 21.7 pttt -40.35 108.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.601 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -162.88 170.7 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.96 -49.23 66.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -64.69 -20.4 66.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.73 92.04 0.27 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.435 1.084 . . . . 0.0 111.01 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.4 ' OH ' ' O1D' ' A' ' 111' ' ' HEC . 44.9 t80 -52.74 -39.11 61.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -78.45 -0.42 29.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -101.69 -14.6 17.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.465 ' CG1' ' C3A' ' A' ' 109' ' ' HEC . 2.7 m -101.87 8.48 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.404 ' SD ' ' SG ' ' A' ' 79' ' ' CYS . 13.3 mmt -117.26 -14.04 10.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' ASP . 7.1 m80 -133.43 -62.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.586 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.529 ' OD2' ' CE1' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -38.72 125.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.87 -30.46 14.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 73' ' ' ASN . 6.9 p30 -71.33 65.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.412 ' HB ' HAA2 ' A' ' 109' ' ' HEC . 41.5 p -129.57 156.28 44.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -65.3 -27.23 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -114.22 156.8 23.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -64.02 126.35 27.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 p -99.04 155.86 17.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.404 ' SG ' ' SD ' ' A' ' 69' ' ' MET . 57.5 m -42.79 -66.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.514 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 98.9 t -63.54 -37.42 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.94 -59.26 8.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 43.9 t -63.56 -45.49 90.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.7 m170 -52.95 -44.22 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 81.7 t -57.03 -37.53 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -33.87 62.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.462 HG12 ' CMD' ' A' ' 110' ' ' HEC . 78.7 t -75.02 -54.07 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.4 -38.22 84.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 39.5 -130.85 2.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.34 59.35 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.762 . . . . 0.0 109.274 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.79 -17.92 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 92' ' ' ALA . . . 60.2 152.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . 81.54 -51.86 0.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 97' ' ' LEU . 23.7 mtmt -69.02 -41.42 77.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -64.69 -10.6 28.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.84 -15.55 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.29 4.15 10.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 93' ' ' LYS . 13.7 mt -123.22 -46.81 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.455 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 19.2 p -117.97 8.54 12.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.44 149.31 43.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.0 m -87.17 -58.15 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.09 135.73 54.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.78 49.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.39 -174.78 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -75.3 -31.33 60.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 68.6 m -80.84 -62.02 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 108.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -101.94 145.55 29.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 109.602 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.527 HBC2 ' CHC' ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.465 ' C3A' ' CG1' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.527 ' CHC' HBC2 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.494 ' C1D' HG23 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.51 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.99 -174.8 2.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 172.15 8.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.71 150.12 94.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.512 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -74.97 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.72 150.95 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.5 150.15 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.4 25.99 7.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.46 ' CD1' HBD2 ' A' ' 108' ' ' HEC . 1.1 tm? -74.68 104.3 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.773 . . . . 0.0 109.344 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 4.5 tttt -102.61 146.49 28.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.565 ' CE ' ' CGD' ' A' ' 108' ' ' HEC . 1.7 ptp -124.14 104.65 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 1.6 tm-20 -104.52 67.54 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.29 -10.09 26.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.1 p -135.29 177.27 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -63.96 -14.9 57.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' O ' HBD1 ' A' ' 111' ' ' HEC . 1.5 mm100 -119.69 97.26 49.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 160.0 40.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.474 HG23 ' C1D' ' A' ' 111' ' ' HEC . 60.0 t -142.02 152.71 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 10' ' ' LYS . 41.8 t -119.55 117.38 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -106.02 144.83 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -121.06 130.16 53.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -82.24 -26.37 33.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.622 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.4 p -74.47 -2.99 28.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -102.33 -32.04 10.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -103.29 37.18 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -68.92 -40.2 79.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 p -71.76 -9.29 58.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.6 t -91.83 142.39 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 135.39 44.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 m -58.56 -28.86 65.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.65 -3.54 89.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 14.1 t0 -79.51 -33.98 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.0 m -104.89 -54.49 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.79 56.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -41.76 148.34 0.46 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.632 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 132.19 15.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 70.7 t -118.88 112.98 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 10.8 t30 82.76 -0.32 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.18 -0.61 54.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.36 141.84 35.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.65 124.85 53.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -147.54 157.38 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CE2' HMB2 ' A' ' 108' ' ' HEC . 22.1 m-85 -97.09 97.69 9.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.08 170.63 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 135.36 36.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.429 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.2 m -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.29 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.76 52.42 3.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.2 133.52 38.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 0.726 . . . . 0.0 110.41 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.89 107.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.29 -12.45 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.9 m -105.62 -99.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -100.23 81.12 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.65 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.04 81.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -112.21 -28.5 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.99 35.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' LYS . 12.2 t0 -108.3 -38.3 5.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER 69.11 -66.25 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -74.62 58.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.38 94.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 133.85 34.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.38 -69.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -174.85 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -7.0 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.33 91.43 0.94 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.403 ' OH ' ' SD ' ' A' ' 11' ' ' MET . 69.0 t80 -50.84 -37.47 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.6 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 1.3 t80 -83.44 0.26 46.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.455 ' NE2' ' O2A' ' A' ' 109' ' ' HEC . 0.2 OUTLIER -104.2 -8.38 19.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG1' ' C3A' ' A' ' 109' ' ' HEC . 2.1 m -105.28 7.28 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.85 -5.86 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.4 m80 -134.51 -62.51 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 70' ' ' HIS . 2.4 t70 -39.08 133.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.69 -20.75 13.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -86.48 56.93 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.503 ' CG2' ' O2A' ' A' ' 109' ' ' HEC . 41.3 p -117.21 158.33 24.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -64.75 -26.01 68.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -117.78 157.07 27.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -62.69 122.35 15.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 2.9 p -95.86 157.78 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 50.0 m -44.92 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 108.284 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.418 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 92.7 t -63.67 -36.55 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.42 -59.44 9.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.91 -45.21 90.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 12.6 m170 -53.0 -44.54 67.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.641 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 49.7 t -57.6 -37.52 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.52 -33.7 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.95 -54.07 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 94' ' ' LYS . . . -67.58 -39.35 84.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.86 -127.56 1.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.69 60.33 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.76 -13.49 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 92' ' ' ALA . . . 59.59 154.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . 79.02 -53.74 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 22.9 mttt -69.92 -37.59 75.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' HG2' ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -63.83 -11.58 28.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.98 -8.59 14.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.36 1.23 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 93' ' ' LYS . 19.9 mt -126.37 -45.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.421 ' HA ' ' CMC' ' A' ' 111' ' ' HEC . 16.4 p -116.44 13.03 15.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.61 153.09 47.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.4 m -90.24 -56.87 3.05 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.77 134.23 54.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.45 46.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.39 -173.71 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -74.82 -30.69 61.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.3 m -83.01 -63.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -100.09 132.6 45.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.565 ' CGD' ' CE ' ' A' ' 11' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.503 ' O2A' ' CG2' ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.522 ' CHC' HBC2 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.474 ' C1D' HG23 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.84 15.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 179.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -94.09 168.87 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.96 22.32 59.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.07 102.03 4.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.668 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -112.13 153.87 26.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.19 113.81 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.2 tm-20 -108.19 67.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.16 -10.06 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 p -131.53 176.48 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -64.76 -11.77 40.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.35 99.44 36.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.54 37.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 74.2 t -143.03 153.92 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.668 HG22 ' CB ' ' A' ' 10' ' ' LYS . 45.9 t -120.8 114.53 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.565 ' HB3' HD13 ' A' ' 9' ' ' LEU . 63.0 t80 -100.61 165.03 11.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -144.84 138.5 27.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -93.88 -20.19 20.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.554 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -77.12 -3.03 37.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -105.17 -34.83 7.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -99.23 34.66 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.68 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -67.71 -35.82 79.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 p -76.5 -11.77 59.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 t -88.8 143.15 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 137.63 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 m -60.04 -33.09 71.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.8 -4.28 76.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -79.94 -33.4 39.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.45 -55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.281 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -76.4 56.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 27.0 p80 -41.97 148.67 0.46 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.578 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.499 0.19 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -124.17 176.26 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.33 134.14 33.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -56.72 -44.28 81.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.316 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.87 48.57 3.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -89.25 130.93 35.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.92 102.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.3 -7.82 10.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.7 m -108.74 -92.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.4 ' CE1' HG11 ' A' ' 68' ' ' VAL . 94.9 m-70 -107.11 74.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -135.75 76.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.8 p -107.98 -30.87 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -19.68 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.66 93.31 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -53.25 -40.98 65.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -78.47 0.25 26.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.566 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.3 t60 -99.38 -30.73 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 67' ' ' HIS . 3.5 m -87.03 8.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.2 mmt -117.69 -13.36 10.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 12.6 m80 -132.91 -60.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.588 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 2.1 t70 -39.0 132.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.81 -29.55 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -76.41 60.52 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.566 HG22 ' CE1' ' A' ' 67' ' ' HIS . 37.6 p -122.24 157.39 31.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -64.71 -24.6 67.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -118.54 157.92 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -65.24 125.36 24.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.78 162.19 13.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.6 m -49.05 -66.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.943 ' O ' HG23 ' A' ' 84' ' ' VAL . 74.6 t -63.64 -35.6 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.49 -59.82 8.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.3 t -63.69 -45.19 91.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.5 m170 -52.86 -44.33 66.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.943 HG23 ' O ' ' A' ' 80' ' ' VAL . 67.9 t -56.98 -37.67 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -34.12 62.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 82' ' ' CYS . 72.3 t -74.03 -53.7 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 97' ' ' LEU . 11.1 mttm . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' CG ' ' OG1' ' A' ' 98' ' ' THR . 1.6 ttpp -64.77 -10.3 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -14.9 20.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.531 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -122.7 5.07 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 96' ' ' ASP . 13.5 mt -123.24 -44.75 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.526 ' HB ' HG13 ' A' ' 80' ' ' VAL . 19.2 p -119.56 6.09 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.14 144.76 48.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.4 m -81.29 -51.99 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -124.63 140.06 53.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mttt 72.15 46.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.55 -173.58 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 2.8 mmtt -75.08 -29.34 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.6 m -85.15 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.291 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -95.05 132.74 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.597 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 166.2 29.72 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.27 -170.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -101.68 169.22 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.76 21.79 65.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.759 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.91 105.56 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.647 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -114.89 150.88 34.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.64 114.24 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 1.5 tm-20 -108.63 67.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.82 -11.66 23.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -129.37 176.27 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -64.9 -11.69 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.19 99.2 37.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.85 40.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 73.9 t -140.9 152.42 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.647 HG22 ' CB ' ' A' ' 10' ' ' LYS . 49.8 t -117.29 118.48 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 9' ' ' LEU . 57.6 t80 -107.55 163.26 13.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -141.62 147.38 37.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -101.05 -21.8 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.539 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.71 -4.84 45.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.7 m -102.37 -31.99 10.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -101.78 35.94 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -67.86 -40.73 83.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.7 p -71.41 -13.45 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.8 t -87.4 140.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 139.76 50.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.0 m -62.92 -27.94 69.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 108.297 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.95 -1.12 90.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -82.4 -31.89 29.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.9 -55.43 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 108.269 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -75.38 57.2 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -41.21 148.69 0.39 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.622 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.506 0.193 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -121.89 173.44 7.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 132.22 37.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -57.59 -47.55 81.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.347 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.88 51.5 3.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.9 131.58 42.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.435 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.69 108.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.82 -13.55 13.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m -105.53 -90.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.429 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.4 m-70 -109.55 70.8 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -133.01 75.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.7 t -108.2 -25.82 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -70.73 -7.38 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.45 91.73 0.76 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -51.2 -42.14 60.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -78.53 -0.64 30.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.506 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.9 t60 -99.28 -26.75 14.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.635 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.429 HG11 ' CE1' ' A' ' 52' ' ' HIS . 2.8 m -90.74 8.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.413 ' O ' HG23 ' A' ' 80' ' ' VAL . 9.2 mmt -118.06 -13.02 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 14.2 m80 -132.49 -61.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.564 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.9 t70 -38.87 132.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -27.97 12.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -76.73 61.18 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.506 HG22 ' CE1' ' A' ' 67' ' ' HIS . 42.7 p -123.32 157.37 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -64.75 -25.32 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -117.94 157.04 27.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.75 125.75 25.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 p -99.35 157.61 16.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.6 m -43.9 -66.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 108.283 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.904 ' O ' HG23 ' A' ' 84' ' ' VAL . 88.9 t -63.46 -35.6 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.7 -59.93 8.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.45 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.9 t -63.76 -45.53 89.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.0 m170 -52.56 -44.07 65.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.617 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 80' ' ' VAL . 56.0 t -56.69 -37.78 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -33.58 63.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 82' ' ' CYS . 89.4 t -74.19 -51.23 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.465 ' CB ' ' HG3' ' A' ' 94' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' A' ' 97' ' ' LEU . 3.4 mmtm . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -63.91 -11.08 24.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.24 -8.51 14.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.546 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -120.95 2.91 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 93' ' ' LYS . 15.8 mt -125.19 -46.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.56 ' HB ' HG13 ' A' ' 80' ' ' VAL . 19.2 p -114.84 7.75 15.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.5 148.86 46.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.8 m -84.75 -57.44 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.14 139.51 53.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 74.09 42.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -174.08 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -74.99 -29.91 61.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 52.4 m -83.25 -66.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -94.14 142.94 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.01 34.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.96 -172.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -100.08 159.77 14.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.76 26.34 29.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.714 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.92 96.8 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.985 ' HB2' HG22 ' A' ' 19' ' ' VAL . 2.9 tttt -101.73 142.02 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.74 112.18 17.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 10.0 tm-20 -108.84 68.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.0 -9.02 26.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 p -131.9 176.86 8.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -64.62 -11.63 37.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -126.42 101.21 28.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.63 36.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 67.4 t -143.16 152.86 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.985 HG22 ' HB2' ' A' ' 10' ' ' LYS . 43.9 t -118.63 113.8 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -103.52 163.98 11.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -141.44 141.68 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.271 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -95.88 -19.7 19.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.6 -1.7 35.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -105.64 -36.28 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -97.55 33.45 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -41.52 92.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.2 p -70.01 -15.75 63.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -85.23 141.08 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 139.1 49.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.6 m -62.36 -27.4 69.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.06 -1.37 90.3 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -82.77 -32.35 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -105.04 -55.74 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.51 57.26 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -40.43 148.65 0.34 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.627 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.486 0.184 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.4 174.7 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 132.99 35.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.3 -49.23 77.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.306 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.76 51.49 3.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.73 131.83 41.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.83 108.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.11 -13.79 12.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.6 m -105.51 -91.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -109.0 69.66 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -130.53 76.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -105.41 -35.07 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -10.99 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.16 96.95 1.01 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.75 -44.23 73.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -75.75 0.16 18.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.481 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.6 t60 -99.26 -21.87 15.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -96.87 8.9 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.478 ' O ' HG23 ' A' ' 80' ' ' VAL . 12.1 mmt -117.42 -14.51 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 7.9 m80 -132.6 -63.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.637 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -37.84 132.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.657 ' HD3' HG21 ' A' ' 84' ' ' VAL . 19.9 mttp -99.49 -32.74 10.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -69.47 65.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' LYS . 58.4 p -129.88 153.34 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -64.7 -25.44 67.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -115.91 155.71 27.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -64.06 126.29 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.63 161.71 13.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.4 m -47.86 -66.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.985 ' O ' HG23 ' A' ' 84' ' ' VAL . 98.0 t -63.56 -37.84 80.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.91 -59.22 8.3 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.483 ' O ' HG23 ' A' ' 86' ' ' VAL . 45.0 t -63.72 -45.85 88.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.2 m170 -52.62 -44.09 65.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.633 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.1 t -56.31 -38.51 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -33.82 62.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 82' ' ' CYS . 85.1 t -73.23 -52.47 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.357 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 90.0 mttt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -9.38 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.64 -10.53 12.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.437 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -114.46 -3.5 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 93' ' ' LYS . 17.9 mt -121.9 -46.68 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.508 ' HB ' HG13 ' A' ' 80' ' ' VAL . 19.4 p -115.03 15.1 17.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.16 152.56 46.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.35 -50.38 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.11 139.73 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp 70.91 45.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.6 -172.63 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -74.4 -30.75 62.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.8 m -83.42 -63.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -97.96 141.1 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.597 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 173.32 14.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 159.06 15.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -77.42 163.08 26.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.21 25.24 34.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.754 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.96 98.25 3.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 1.011 ' HB2' HG22 ' A' ' 19' ' ' VAL . 2.1 ttpm? -103.61 143.74 32.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.21 103.92 9.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 1.6 tm-20 -102.21 65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.22 -10.39 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -132.67 176.58 8.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.32 -14.36 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -119.53 98.56 50.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.8 42.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 67.0 t -139.91 145.56 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.011 HG22 ' HB2' ' A' ' 10' ' ' LYS . 47.4 t -111.85 117.65 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.484 ' HB3' HD13 ' A' ' 9' ' ' LEU . 86.4 t80 -106.39 149.5 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -127.16 137.86 53.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -91.49 -27.05 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 m -74.23 -3.06 27.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.0 m -102.83 -30.85 10.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.444 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -102.49 34.92 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.608 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -65.1 -43.29 92.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.2 p -69.17 -8.04 41.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.2 140.43 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.04 142.03 45.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -63.06 -30.93 71.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 108.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.74 -3.83 84.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -80.89 -31.63 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 m -107.65 -55.07 2.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.33 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -76.33 56.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.571 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.1 p80 -41.68 148.54 0.44 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.568 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.492 0.187 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.08 174.64 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.31 131.46 35.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.5 m -56.95 -46.46 82.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.25 49.03 3.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -93.82 132.83 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.421 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.71 111.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.86 -16.11 18.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.3 m -103.8 -91.61 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -109.07 74.1 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.643 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -135.75 75.76 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 t -107.1 -32.38 7.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -65.09 -22.9 67.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.49 94.27 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -54.72 -41.86 70.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.5 t80 -76.97 -0.0 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.466 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.0 t60 -100.25 -18.76 16.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.59 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -99.34 8.82 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 80' ' ' VAL . 9.0 mmt -117.45 -13.15 10.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.9 m80 -133.51 -63.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -38.54 132.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.25 -32.31 10.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -71.41 67.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.447 HG22 ' CE1' ' A' ' 67' ' ' HIS . 45.8 p -130.45 156.27 45.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -64.97 -24.27 67.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -118.96 156.7 29.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -64.01 127.02 29.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 p -99.32 156.91 16.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.7 m -43.36 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 108.282 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.996 ' O ' HG23 ' A' ' 84' ' ' VAL . 97.4 t -63.34 -37.61 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.67 -59.96 7.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.582 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.9 t -63.49 -44.91 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.5 m170 -52.79 -44.07 66.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 80' ' ' VAL . 83.2 t -55.92 -41.98 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 -34.45 62.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 82' ' ' CYS . 85.5 t -70.34 -52.04 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.551 ' O ' ' N ' ' A' ' 97' ' ' LEU . 20.5 mttt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' O ' ' OG1' ' A' ' 98' ' ' THR . 18.4 tttm -66.91 -8.57 30.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -119.53 -8.46 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.232 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.1 -22.08 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 93' ' ' LYS . 19.8 mt -108.01 -47.56 3.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 29.9 p -108.43 16.76 22.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.89 147.68 50.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 9.9 m -85.92 -62.2 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -119.79 139.04 52.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 71.6 49.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.16 -171.22 2.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -74.68 -27.98 60.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 70.8 m -86.07 -63.63 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 108.292 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -96.69 130.1 43.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.58 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 165.1 32.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.69 -177.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.94 169.54 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.15 21.7 62.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.755 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.91 101.95 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 0.728 . . . . 0.0 109.36 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.657 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -112.0 148.23 34.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.1 114.58 21.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 6.1 tm-20 -110.02 68.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.07 -12.19 22.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.7 p -130.47 176.12 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -65.08 -10.95 34.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -123.39 95.85 44.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.96 34.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 89.1 t -145.68 153.55 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.657 HG22 ' CB ' ' A' ' 10' ' ' LYS . 50.5 t -117.63 114.53 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.603 ' HB3' HD13 ' A' ' 9' ' ' LEU . 52.7 t80 -99.8 163.85 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -144.67 136.65 25.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -92.69 -18.08 23.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.569 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.436 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 3.7 t -79.37 -2.23 40.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 m -106.15 -35.3 7.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -98.71 34.11 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.436 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 11.0 mtpt -67.97 -36.04 79.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.8 p -74.92 -13.81 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.1 t -87.9 142.96 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.74 139.81 47.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.1 m -62.32 -27.69 69.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.88 -1.2 90.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -84.37 -25.03 29.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.41 -55.37 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -76.64 55.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 27.0 p80 -40.36 148.61 0.33 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.5 0.19 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.09 174.46 6.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.76 135.03 35.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.45 -49.64 76.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 108.324 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.66 51.67 3.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.74 131.87 41.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.92 107.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.14 -14.01 11.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.3 m -106.15 -93.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -105.95 68.94 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -130.26 75.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 t -110.78 -24.18 10.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -70.64 -7.35 43.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.64 91.92 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -50.31 -41.08 50.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.5 t80 -79.38 0.08 30.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.457 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.2 t60 -101.28 -15.04 17.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.5 m -103.47 7.93 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.245 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.3 mmt -115.78 -16.53 11.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 71' ' ' ASP . 5.8 m80 -132.62 -62.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.555 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -38.94 119.88 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.697 ' HD3' HG21 ' A' ' 84' ' ' VAL . 3.7 mttp -85.57 -38.97 17.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.19 79.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 72' ' ' LYS . 40.6 p -143.5 155.62 44.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -24.14 67.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -118.85 158.61 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -66.3 128.09 34.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 p -97.17 161.19 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 59.0 m -48.66 -66.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.999 ' O ' HG23 ' A' ' 84' ' ' VAL . 77.1 t -63.82 -36.88 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.26 -58.75 9.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.46 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.7 t -63.49 -45.16 92.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.7 m170 -52.61 -44.15 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 80' ' ' VAL . 93.5 t -55.89 -37.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -34.33 62.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 82' ' ' CYS . 90.3 t -73.29 -53.65 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 97' ' ' LEU . 5.7 mttp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -64.21 -10.2 21.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.91 -7.14 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.531 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -118.28 -0.05 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 93' ' ' LYS . 16.0 mt -125.31 -49.19 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.533 ' HB ' HG13 ' A' ' 80' ' ' VAL . 17.9 p -110.86 10.81 22.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.09 150.11 46.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.6 m -88.77 -49.43 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -128.5 137.89 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 72.53 45.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.32 -172.49 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -74.43 -29.77 61.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 57.0 m -85.94 -67.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 108.346 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -94.79 128.43 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.573 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.34 22.84 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.82 175.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.04 169.84 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.99 26.43 58.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.09 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.717 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.48 99.85 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.986 ' HB2' HG22 ' A' ' 19' ' ' VAL . 1.3 ttmp? -105.61 143.56 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.72 111.89 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.9 tm-20 -107.64 67.62 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.71 -11.57 24.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.8 p -129.72 176.98 7.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -64.45 -11.64 35.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -125.85 102.21 28.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 159.92 40.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 55.0 t -140.97 148.57 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.986 HG22 ' HB2' ' A' ' 10' ' ' LYS . 48.5 t -114.54 117.44 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -107.09 161.41 14.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -139.33 141.42 37.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -96.03 -18.77 19.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -79.81 -1.33 38.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.957 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -106.07 -37.3 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -96.68 33.06 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -65.28 -38.54 90.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -11.98 60.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.955 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.5 140.19 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -71.26 139.3 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 m -61.74 -31.61 71.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.57 -4.27 80.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.09 -34.92 43.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.4 m -104.9 -54.84 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.61 56.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.621 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -43.38 149.33 0.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.557 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.526 0.203 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -157.33 177.49 11.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.1 130.8 34.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -57.74 -46.06 84.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.332 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.62 51.9 3.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -94.65 131.78 40.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.384 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.82 105.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.32 -11.04 10.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.22 -93.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -105.86 66.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.69 74.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.1 p -102.02 -34.01 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -65.06 -15.52 62.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.87 91.98 0.28 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -51.02 -39.47 55.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -80.38 -1.04 39.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -100.43 -14.29 18.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.602 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 m -104.13 8.71 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.0 mmt -118.44 -9.04 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' ASP . 8.7 m80 -137.37 -62.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -37.58 126.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 -29.13 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -76.25 65.99 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 p -127.89 158.02 38.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -64.64 -24.67 67.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -121.16 154.65 35.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -62.26 126.29 26.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.31 161.32 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 59.8 m -45.24 -65.14 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.573 HG13 ' HB ' ' A' ' 98' ' ' THR . 77.9 t -63.43 -49.39 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -39.78 -58.21 2.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.443 ' O ' HG23 ' A' ' 86' ' ' VAL . 38.3 t -63.13 -47.81 81.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.457 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 15.1 m170 -51.71 -44.05 63.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.651 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 80' ' ' VAL . 55.8 t -55.37 -39.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -34.33 61.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 82' ' ' CYS . 98.7 t -72.17 -51.62 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 97' ' ' LEU . 28.9 mtmt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -10.4 25.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -7.96 10.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 0.9 OUTLIER -115.34 -3.99 12.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.555 ' N ' ' O ' ' A' ' 93' ' ' LYS . 26.9 mt -124.24 -47.93 1.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.573 ' HB ' HG13 ' A' ' 80' ' ' VAL . 12.2 p -112.31 15.04 20.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.03 163.86 10.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -104.91 -41.21 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -138.16 140.0 39.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.7 40.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -172.07 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 12.4 mmtm -74.51 -29.8 61.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.5 m -84.85 -64.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 108.31 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -95.68 124.67 39.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 174.66 12.41 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.55 159.94 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -80.94 173.13 12.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.1 29.22 62.91 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.712 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.8 98.25 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.991 ' HB2' HG22 ' A' ' 19' ' ' VAL . 2.0 ttpt -101.94 142.37 33.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.17 107.3 11.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 9.6 tm-20 -105.52 66.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.53 -13.03 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.2 p -132.02 178.04 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -15.55 60.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -119.33 96.39 49.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.33 41.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 68.8 t -139.6 153.51 23.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.991 HG22 ' HB2' ' A' ' 10' ' ' LYS . 40.5 t -119.72 115.61 48.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -107.51 137.99 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -120.79 117.38 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -67.05 -24.3 65.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.411 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -71.86 -5.04 31.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.0 m -103.64 -32.93 9.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -102.13 36.08 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 18.5 mtpt -68.86 -39.2 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.6 p -70.86 -14.61 62.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -88.12 143.0 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 145.27 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -65.48 -32.12 73.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.66 -4.69 76.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -80.65 -35.17 34.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.2 m -104.88 -55.39 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -77.08 66.66 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 32.6 p80 -55.91 148.31 38.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.654 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.461 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 1.8 m-85 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.465 0.174 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 168.37 17.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.48 133.74 38.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.88 -52.02 66.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.56 53.02 2.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -98.01 132.71 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.398 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.65 111.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.29 -16.98 17.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.53 -94.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.407 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.6 m-70 -105.19 69.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.61 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -129.4 76.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -111.06 -22.11 11.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -64.53 -19.45 65.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.57 90.01 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.402 ' O ' ' SD ' ' A' ' 69' ' ' MET . 56.3 t80 -50.43 -37.52 38.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 3.5 t80 -80.11 1.83 26.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -107.8 -2.81 19.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.558 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.407 HG11 ' CE1' ' A' ' 52' ' ' HIS . 1.5 m -112.05 5.64 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.485 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -120.17 -7.74 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 71' ' ' ASP . 23.3 m80 -132.49 -63.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.62 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' HIS . 1.6 t70 -38.65 142.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.739 ' HE2' HG21 ' A' ' 84' ' ' VAL . 20.5 mttt -110.09 -27.89 8.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -77.92 61.04 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.1 p -123.24 154.74 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.19 -26.15 68.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 77.8 m-85 -115.44 155.83 26.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -63.53 123.47 18.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.1 160.17 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.9 m -49.45 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 108.328 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.998 ' O ' HG23 ' A' ' 84' ' ' VAL . 90.5 t -63.52 -36.98 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.41 -59.73 8.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.507 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.7 t -63.29 -44.95 93.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.6 m170 -53.02 -44.52 67.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 80' ' ' VAL . 80.9 t -56.88 -37.22 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -34.06 62.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 82' ' ' CYS . 99.6 t -73.5 -53.75 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' LEU . 2.2 mttp . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -67.99 -9.12 43.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -125.01 -5.05 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.89 -23.0 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 93' ' ' LYS . 43.6 mt -109.27 -30.29 8.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 21.1 p -127.55 21.36 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.453 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.18 144.48 34.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.8 m -83.43 -52.48 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -126.97 132.85 50.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 77.07 51.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.68 -173.6 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -74.62 -30.06 61.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 85.7 m -83.66 -63.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -102.12 145.34 29.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 165.13 31.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.571 1.827 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.59 162.99 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -81.99 164.23 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.21 25.28 34.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.855 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -75.17 92.1 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.943 ' HB2' HG22 ' A' ' 19' ' ' VAL . 10.5 tttm -92.39 146.11 23.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.15 104.03 6.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 1.7 tm-20 -103.95 65.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.67 -15.51 42.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 p -127.94 179.88 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -64.54 -11.44 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.78 101.77 39.13 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.86 38.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 59.4 t -144.63 152.46 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.943 HG22 ' HB2' ' A' ' 10' ' ' LYS . 51.1 t -123.38 113.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.636 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 59.3 t80 -100.1 173.85 6.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -147.11 139.83 24.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -96.29 -14.05 22.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.59 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 p -85.24 -4.51 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 m -103.79 -32.99 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.636 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 60.5 m80 -100.13 34.87 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.609 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -68.07 -36.67 80.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -12.57 60.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 t -87.36 141.37 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.0 133.77 45.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 m -57.14 -30.87 64.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 108.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.63 -4.06 87.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -79.25 -30.25 43.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.48 -53.95 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 108.315 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -78.23 54.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -42.11 149.45 0.43 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.632 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.973 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.496 0.189 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 172.18 8.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.69 136.32 35.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.66 -50.43 73.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 108.298 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.48 51.61 3.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -94.55 131.77 39.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 110.436 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.73 105.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.01 -10.51 11.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m -108.77 -94.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.431 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.0 m-70 -105.02 68.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.559 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -131.27 74.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.4 p -113.35 -34.62 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -65.32 -16.67 63.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.05 93.59 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -53.15 -39.87 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.747 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -81.26 1.06 34.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.511 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.4 t60 -100.54 -24.03 14.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' A' ' 52' ' ' HIS . 3.0 m -94.31 8.64 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.9 mmt -118.18 -12.44 10.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.2 m80 -134.54 -62.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.625 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.8 OUTLIER -37.93 119.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -26.1 20.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -79.62 71.1 6.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.511 HG22 ' CE1' ' A' ' 67' ' ' HIS . 40.6 p -132.89 159.01 41.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -65.45 -25.65 67.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -118.59 156.95 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -63.61 127.16 30.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 p -98.48 160.95 13.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.4 m -47.38 -67.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 108.326 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.994 ' O ' HG23 ' A' ' 84' ' ' VAL . 72.2 t -63.9 -35.21 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.78 -58.99 9.86 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.501 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.9 t -63.78 -44.39 93.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.6 m170 -53.14 -44.49 67.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.994 HG23 ' O ' ' A' ' 80' ' ' VAL . 76.3 t -56.76 -37.42 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -33.89 62.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 82' ' ' CYS . 83.6 t -74.71 -55.35 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 97' ' ' LEU . 16.2 mmtt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.449 ' CG ' ' OG1' ' A' ' 98' ' ' THR . 8.3 ttpt -64.34 -10.77 26.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.82 -14.8 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -121.13 4.52 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 93' ' ' LYS . 14.4 mt -123.8 -47.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.449 ' OG1' ' CG ' ' A' ' 94' ' ' LYS . 22.4 p -115.54 6.84 14.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.29 141.43 46.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 15.4 m -78.78 -49.81 12.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -124.65 142.73 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt 67.92 48.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 p -122.19 -175.16 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 4.0 mmtt -74.84 -28.24 60.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.9 m -85.44 -69.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.287 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -92.83 139.23 30.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.549 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.25 23.02 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.56 177.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.68 173.06 7.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.96 23.69 68.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.32 100.6 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.664 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -109.82 153.74 23.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.23 116.98 19.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 4.8 tm-20 -110.42 67.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.1 -14.59 22.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 p -126.57 177.35 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -65.27 -11.25 39.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.95 100.84 33.08 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.31 39.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.564 1.823 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 82.8 t -141.87 154.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.664 HG22 ' CB ' ' A' ' 10' ' ' LYS . 47.7 t -120.32 114.76 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.558 ' HB3' HD13 ' A' ' 9' ' ' LEU . 62.1 t80 -101.41 163.36 12.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -142.97 139.25 30.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.307 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -94.96 -20.74 19.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.44 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -76.79 -1.23 27.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.039 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 m -106.33 -36.7 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.398 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -97.38 33.49 1.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.44 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 19.7 mtpt -66.95 -36.56 82.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.6 p -74.85 -15.27 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -86.6 143.56 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.32 139.59 46.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 m -62.09 -29.63 70.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 108.368 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.15 -2.79 87.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.11 -33.57 33.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.2 m -105.06 -55.72 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 108.298 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.49 58.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.7 p80 -42.66 149.01 0.5 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.589 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.502 0.191 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -123.28 174.91 7.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 134.4 34.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.59 -48.2 81.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.35 51.08 3.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.58 132.05 41.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.756 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.64 109.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.41 -13.68 15.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.1 m -104.85 -91.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -109.17 69.8 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -131.88 76.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 t -106.78 -28.37 10.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -72.39 -6.11 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.65 93.66 1.26 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -51.97 -41.06 61.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 0.807 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -79.93 -0.48 35.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.4 t60 -99.32 -22.48 15.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 m -96.05 9.4 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.5 mmt -118.58 -11.89 9.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 71' ' ' ASP . 6.9 m80 -136.25 -63.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -36.38 134.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.685 ' HD2' HG21 ' A' ' 84' ' ' VAL . 1.1 mtpm? -94.17 -43.57 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.93 82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' LYS . 64.1 p -145.03 149.75 35.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -22.55 67.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 60.0 m-85 -119.17 157.82 27.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -67.07 128.23 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.99 162.09 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.6 m -48.79 -66.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 108.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.947 ' O ' HG23 ' A' ' 84' ' ' VAL . 70.6 t -63.65 -36.36 76.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.22 -59.3 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.511 ' O ' HG23 ' A' ' 86' ' ' VAL . 48.1 t -63.43 -45.69 89.76 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -52.92 -44.06 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.591 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.0 t -57.1 -37.58 56.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -34.27 61.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 82' ' ' CYS . 94.5 t -73.5 -53.98 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 97' ' ' LEU . 2.8 mmtp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -9.5 18.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -19.31 15.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.455 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -113.74 1.39 14.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 93' ' ' LYS . 13.3 mt -122.89 -52.35 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.473 ' HB ' HG13 ' A' ' 80' ' ' VAL . 21.3 p -109.88 10.84 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.07 147.54 50.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.3 m -84.12 -39.38 19.55 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -136.63 149.35 47.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.01 37.57 9.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.12 -172.57 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -74.6 -28.52 60.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 11.5 m -89.28 -66.99 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -94.7 146.58 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.83 8.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.86 -179.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.99 169.12 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.09 26.14 56.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.731 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.49 98.87 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 1.015 ' HB2' HG22 ' A' ' 19' ' ' VAL . 3.2 ttpt -104.99 145.89 29.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.16 103.75 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.3 tm-20 -101.92 65.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.28 -13.35 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.0 p -131.67 177.32 7.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -63.9 -14.91 57.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.27 97.69 50.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.27 42.41 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.556 1.819 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 61.7 t -141.5 146.34 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.015 HG22 ' HB2' ' A' ' 10' ' ' LYS . 46.0 t -113.14 115.42 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.534 ' HB3' HD13 ' A' ' 9' ' ' LEU . 81.8 t80 -104.9 162.81 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -141.42 145.78 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -97.53 -24.96 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.597 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 m -73.0 -4.32 31.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.7 m -104.05 -32.66 9.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.423 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -101.44 35.23 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -67.79 -43.76 78.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.1 p -66.95 -14.07 62.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -87.87 142.79 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -75.04 141.83 43.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.98 -32.9 74.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.358 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.56 -2.85 76.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.62 -31.98 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -106.49 -56.16 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.246 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -76.14 59.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -44.28 149.38 0.73 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.965 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.454 0.169 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 172.36 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.07 135.6 33.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.6 m -57.22 -49.94 74.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.24 51.9 3.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -93.25 131.81 38.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.11 103.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.97 -8.37 10.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.5 m -109.3 -95.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -103.53 74.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.605 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -132.2 79.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.1 p -108.63 -27.35 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -64.98 -19.91 66.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.16 88.65 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.25 -36.93 44.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.1 t80 -80.64 -2.88 48.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.0 OUTLIER -99.55 -18.37 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.565 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -97.48 9.2 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.481 ' O ' HG23 ' A' ' 80' ' ' VAL . 11.4 mmt -119.79 -8.83 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.0 m80 -136.7 -62.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.7 t70 -38.49 140.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.769 ' HD3' HG21 ' A' ' 84' ' ' VAL . 7.8 mttm -105.78 -33.99 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -69.01 66.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LYS . 63.0 p -130.63 152.06 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -64.37 -26.32 68.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -114.46 155.97 25.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 126.17 27.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 p -98.83 155.68 17.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.5 m -42.69 -66.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.331 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.986 ' O ' HG23 ' A' ' 84' ' ' VAL . 92.7 t -63.46 -37.84 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.94 -59.77 7.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.519 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.6 t -63.61 -45.01 92.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.5 m170 -53.06 -44.54 67.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.58 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 80' ' ' VAL . 72.5 t -56.15 -36.37 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -34.12 59.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 82' ' ' CYS . 59.3 t -74.53 -54.25 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -1.39 20.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.01 -4.12 10.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.62 -40.12 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.5 mt -87.87 -30.84 19.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.414 ' HB ' HG13 ' A' ' 80' ' ' VAL . 23.5 p -128.18 14.28 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.6 152.68 51.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.65 -56.33 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 139.81 53.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 69.48 47.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.7 -172.46 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -74.86 -30.21 61.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 82.3 m -84.02 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -96.74 143.07 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 167.01 27.94 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.779 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.83 -179.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.72 178.72 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.15 26.65 73.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.621 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -74.89 97.4 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.945 ' HB2' HG22 ' A' ' 19' ' ' VAL . 13.0 ttpp -101.48 144.58 30.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.4 ptp -120.79 106.35 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 4.1 tm-20 -105.03 68.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.87 -11.42 21.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -132.22 176.5 8.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -64.07 -14.19 52.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.78 97.97 48.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 161.98 37.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 69.5 t -144.06 153.08 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.945 HG22 ' HB2' ' A' ' 10' ' ' LYS . 53.3 t -117.72 117.58 55.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -106.9 165.1 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -141.16 148.9 40.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -102.31 -18.69 15.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.552 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -80.62 -3.53 50.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.0 m -102.68 -33.02 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -100.88 35.68 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.537 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -67.06 -43.26 83.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.4 p -69.13 -12.84 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.7 t -87.29 139.49 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.61 134.5 46.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 m -57.46 -29.21 64.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.43 -4.0 88.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -79.49 -33.5 42.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 0.798 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.84 -55.12 2.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' HIS . 94.2 m-70 -76.15 56.81 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 20.6 p80 -39.64 148.07 0.31 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.562 0.22 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.06 -179.37 3.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.41 1.069 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -81.81 135.92 35.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 m -60.93 -48.85 79.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.284 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.25 52.84 2.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.15 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -96.73 132.72 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.85 108.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.81 -13.35 13.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.1 m -105.29 -95.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.438 ' CE1' HG11 ' A' ' 68' ' ' VAL . 95.9 m-70 -103.78 68.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.619 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -131.23 77.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.6 p -112.17 -26.15 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -64.97 -12.13 46.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -68.73 92.55 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -53.39 -37.11 62.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -86.02 0.79 52.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.534 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.1 t60 -99.41 -28.77 13.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.438 HG11 ' CE1' ' A' ' 52' ' ' HIS . 3.2 m -88.26 9.74 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.9 mmt -118.96 -12.21 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.3 m80 -135.11 -60.74 0.76 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.3 t70 -37.84 128.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.786 ' HD3' HG21 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -99.47 -27.06 13.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -77.95 63.06 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.534 HG22 ' CE1' ' A' ' 67' ' ' HIS . 42.6 p -125.95 156.26 40.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.441 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -64.95 -24.57 67.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -117.28 158.78 23.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -66.26 124.36 22.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 p -96.64 157.67 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 57.3 m -43.55 -67.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 108.252 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.008 ' O ' HG23 ' A' ' 84' ' ' VAL . 96.1 t -63.8 -39.05 84.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.71 -58.93 7.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.466 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.5 t -63.42 -45.26 91.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 12.7 m170 -52.77 -43.79 66.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.536 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.008 HG23 ' O ' ' A' ' 80' ' ' VAL . 90.1 t -56.65 -37.57 53.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -34.23 62.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 82' ' ' CYS . 66.0 t -75.1 -55.66 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 97' ' ' LEU . 33.5 mttt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -10.94 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.47 -14.14 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.528 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -122.77 5.31 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 96' ' ' ASP . 13.3 mt -123.53 -45.39 2.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.584 ' HB ' HG13 ' A' ' 80' ' ' VAL . 15.5 p -120.13 6.86 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.89 151.75 29.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.25 -44.95 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -129.28 140.46 51.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.93 50.04 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.27 -174.77 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 1.5 mmmt -75.3 -30.06 60.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.2 m -83.5 -65.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 108.295 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -95.59 133.17 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 161.87 37.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.18 -170.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -101.9 169.85 8.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.75 11.17 66.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.797 HD13 ' O ' ' A' ' 9' ' ' LEU . 1.6 tm? -74.68 96.16 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.962 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -107.36 159.72 16.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.38 131.61 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.1 tm-20 -128.87 63.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.35 -17.28 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 p -127.68 177.64 6.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -70.47 -6.51 36.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.14 89.65 47.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.447 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 175.88 10.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 79.6 t -155.21 146.66 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.962 HG22 ' HB3' ' A' ' 10' ' ' LYS . 76.7 t -105.77 116.24 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -99.82 172.71 7.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -151.23 144.82 24.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -99.79 -22.51 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.567 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.8 -3.06 32.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 m -104.67 -34.12 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.366 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -100.06 34.91 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.616 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -66.95 -44.44 80.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.8 p -67.07 -15.86 63.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 t -85.02 141.03 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.24 139.13 47.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -61.51 -34.33 75.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.82 -2.18 69.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -82.01 -32.38 30.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -105.51 -55.23 2.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -76.26 61.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -47.26 149.19 1.87 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.579 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.478 0.18 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.62 176.42 6.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.76 134.77 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -58.17 -49.57 76.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.09 51.54 3.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -93.25 131.4 38.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.359 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.68 103.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.89 -8.6 10.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.7 m -108.49 -94.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -105.35 75.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.625 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -134.25 76.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.54 -40.33 6.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -64.96 -21.13 66.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.06 98.57 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -58.24 -40.3 81.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 0.733 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -77.92 -1.42 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.3 t60 -98.92 -23.4 15.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -94.59 8.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.492 ' O ' HG23 ' A' ' 80' ' ' VAL . 11.8 mmt -117.81 -13.55 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' ASP . 14.7 m80 -131.61 -63.02 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.3 t70 -38.53 139.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.573 ' HD3' HG21 ' A' ' 84' ' ' VAL . 27.1 mttp -106.92 -33.87 7.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -69.79 63.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.5 p -125.96 154.79 42.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -25.49 68.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -117.14 156.19 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 126.2 26.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.7 p -99.39 158.24 15.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.5 m -44.68 -66.96 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 108.274 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.938 ' O ' HG23 ' A' ' 84' ' ' VAL . 96.9 t -63.21 -36.21 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.6 -60.14 8.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.55 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.9 t -63.89 -44.65 92.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.1 m170 -53.11 -44.6 67.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 80' ' ' VAL . 72.6 t -57.44 -37.91 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -34.56 62.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 82' ' ' CYS . 95.1 t -73.24 -53.06 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 93' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 87' ' ' ALA . 35.2 mtmt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -7.64 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.14 -4.26 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.54 -28.69 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 93' ' ' LYS . 40.7 mt -104.65 -29.28 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.2 p -127.45 20.57 6.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.429 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.89 144.09 34.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 26.9 m -82.16 -58.85 2.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -121.46 143.78 49.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.9 49.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.2 -173.34 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -75.61 -28.42 58.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 89.6 m -83.71 -62.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -100.71 141.93 32.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.654 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.18 23.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.92 -179.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.27 179.86 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.48 15.73 80.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 9' ' ' LEU . 1.7 tm? -77.27 96.93 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.921 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -106.43 162.67 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.402 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -115.93 130.16 56.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 1.9 tm-20 -127.92 63.83 1.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.58 -18.49 14.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 p -125.34 -179.19 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -73.32 -4.56 34.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -132.03 90.9 34.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.455 ' O ' HG23 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.02 176.22 10.2 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 78.8 t -155.3 146.59 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.921 HG22 ' HB3' ' A' ' 10' ' ' LYS . 71.8 t -106.61 117.3 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -95.97 178.34 5.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -162.54 120.36 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -77.92 -19.65 54.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.587 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 t -76.66 -0.53 23.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.4 m -108.06 -31.46 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -103.01 36.33 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.587 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -66.93 -42.9 84.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.8 p -69.3 -13.79 62.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.4 t -87.04 142.27 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 144.92 43.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -65.71 -31.77 72.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.92 -2.8 83.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.57 -34.92 34.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.92 -55.29 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 108.34 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -74.87 58.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 23.3 p80 -43.18 148.95 0.57 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.629 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.537 0.208 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -127.79 156.0 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.51 134.93 54.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.8 -48.38 81.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.49 52.04 3.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.14 131.76 43.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.64 109.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.31 -15.34 11.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.3 m -105.15 -90.93 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -108.26 63.22 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.635 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -120.3 60.38 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.7 t -92.2 -48.66 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -19.29 65.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.95 95.27 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -51.92 -45.33 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.2 t80 -75.02 -0.56 19.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.454 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -100.26 -16.07 17.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -104.28 8.23 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.4 mmt -116.72 -14.4 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.9 m80 -132.31 -63.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.63 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -37.97 124.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.92 -33.04 13.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -70.53 63.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.7 p -125.93 156.14 40.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -23.88 67.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -120.14 156.51 30.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.71 126.74 28.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 p -99.46 162.01 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.1 m -46.98 -67.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 84' ' ' VAL . 80.7 t -63.63 -36.72 77.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.38 -58.53 9.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.48 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.6 t -63.83 -44.79 92.17 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.5 m170 -52.94 -44.24 66.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 80' ' ' VAL . 94.5 t -56.64 -37.92 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -33.94 63.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 82' ' ' CYS . 93.0 t -73.7 -52.03 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB3' ' HG3' ' A' ' 94' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 97' ' ' LEU . 8.8 mmpt? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HG3' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -65.68 -8.85 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.07 -14.48 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.557 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -123.68 4.19 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 96' ' ' ASP . 20.8 mt -126.59 -50.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.7 p -111.51 6.21 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.1 146.66 35.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.4 m -85.99 -53.18 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -129.55 133.3 47.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER 82.07 41.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.87 -172.68 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -74.7 -28.17 60.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 72.9 m -84.58 -65.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.285 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -99.92 129.47 46.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.589 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 160.0 40.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.83 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -88.7 169.26 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.91 16.65 62.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.767 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.79 103.44 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.645 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -110.86 156.71 20.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.68 112.14 13.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 3.6 tm-20 -107.35 66.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.88 -13.48 22.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.3 p -128.28 176.6 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -64.93 -11.44 38.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -124.25 99.8 36.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.32 35.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 76.3 t -145.3 152.74 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.645 HG22 ' CB ' ' A' ' 10' ' ' LYS . 43.7 t -118.8 115.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.554 ' HB3' HD13 ' A' ' 9' ' ' LEU . 35.2 t80 -96.01 176.07 6.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -152.74 140.95 20.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -101.46 -19.95 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.61 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.75 -4.19 53.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 m -103.68 -33.51 8.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -99.26 34.49 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.651 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -67.15 -39.06 86.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.1 p -72.92 -12.07 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.1 t -89.16 139.14 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.01 138.72 54.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.4 m -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.24 -0.46 89.75 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -82.13 -25.85 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.96 -55.05 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 108.316 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -75.22 61.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 23.0 p80 -45.22 148.06 1.16 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.499 0.19 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 176.16 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.23 141.2 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.7 m -64.47 -54.64 29.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.39 54.45 1.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.157 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.17 139.63 38.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.71 123.94 14.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.0 -25.88 24.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.2 m -95.12 -108.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 98.8 m-70 -93.63 70.96 4.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.37 18.14 20.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 7.7 t -81.48 103.62 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.522 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 11.0 mttm -64.38 -24.07 67.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.12 89.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -49.28 -43.33 43.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 3.5 t80 -77.65 0.57 22.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.445 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.9 t60 -103.83 -11.46 17.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 m -107.66 8.07 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.484 ' O ' HG23 ' A' ' 80' ' ' VAL . 8.4 mmt -118.69 -10.48 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' ASP . 11.4 m80 -134.93 -61.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.8 OUTLIER -38.89 137.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.547 ' HD3' HG21 ' A' ' 84' ' ' VAL . 11.4 mttt -104.67 -34.45 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -69.54 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' LYS . 62.1 p -127.02 153.38 46.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HE3' ' CZ ' ' A' ' 76' ' ' PHE . 22.0 ttpt -64.75 -24.76 67.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 57.8 m-85 -116.47 157.61 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -65.31 125.71 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 p -99.08 155.71 17.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.3 m -43.44 -66.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.934 ' O ' HG23 ' A' ' 84' ' ' VAL . 93.1 t -63.22 -35.82 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.79 -60.32 8.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.507 ' O ' HG23 ' A' ' 86' ' ' VAL . 44.0 t -63.89 -45.06 91.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.5 m170 -52.9 -44.41 66.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 80' ' ' VAL . 54.3 t -56.23 -38.29 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -34.27 62.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 82' ' ' CYS . 94.0 t -73.06 -53.51 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -10.73 26.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.05 -7.68 10.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -112.7 -8.43 13.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 93' ' ' LYS . 16.0 mt -120.24 -43.01 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.537 ' HB ' HG13 ' A' ' 80' ' ' VAL . 18.7 p -117.93 19.47 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.21 156.24 45.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.36 -44.72 6.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.69 140.91 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 mttp 66.85 46.65 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.47 -173.43 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 9.9 mmtm -74.73 -30.09 61.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 64.3 m -82.74 -64.11 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -96.08 145.55 25.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 155.02 42.93 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.92 177.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -88.92 163.61 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.03 17.19 35.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -74.24 93.62 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.781 ' HB2' HG22 ' A' ' 19' ' ' VAL . 1.2 tttp -89.12 147.27 24.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.483 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 25.2 mtp -115.9 94.58 4.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 8.3 tm-20 -103.01 65.0 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.62 -13.69 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.9 p -129.55 176.61 7.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -64.77 -11.16 33.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -128.22 96.78 30.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 11' ' ' MET . 18.5 Cg_endo -74.96 165.86 30.46 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 71.8 t -148.69 150.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 10' ' ' LYS . 52.4 t -116.1 113.08 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -96.62 174.59 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -148.01 133.83 19.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -91.39 -10.58 40.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 m -88.82 -4.29 58.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.8 m -103.26 -31.89 9.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -101.49 35.31 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -67.5 -38.2 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.9 p -73.07 -14.35 61.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.6 t -86.5 139.38 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.3 136.68 50.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.4 m -59.06 -30.88 68.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.257 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.93 -2.86 87.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -80.21 -28.59 38.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.39 -54.39 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.324 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -76.91 56.12 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -42.31 148.65 0.5 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.659 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.505 0.193 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -122.68 176.11 6.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 133.9 35.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -57.42 -46.57 83.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.86 50.49 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.7 140.4 31.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.351 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.87 122.13 10.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.33 -25.1 27.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.9 m -95.02 -109.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.437 ' CE1' HG11 ' A' ' 68' ' ' VAL . 99.8 m-70 -93.75 69.95 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.58 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.02 20.31 18.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.48 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 4.4 t -80.49 102.49 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.42 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 10.1 mtmt -64.69 -22.63 67.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.52 95.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.459 ' O ' ' CG ' ' A' ' 69' ' ' MET . 69.9 t80 -54.97 -43.52 73.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.6 t80 -77.11 2.14 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.535 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.5 t60 -102.21 -31.94 10.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.485 HG13 ' HD2' ' A' ' 67' ' ' HIS . 3.5 m -88.06 8.96 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 4.0 mmt -120.13 -10.67 9.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 71' ' ' ASP . 15.2 m80 -135.5 -60.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.9 t70 -39.42 134.31 1.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.712 ' HD3' HG21 ' A' ' 84' ' ' VAL . 19.3 mttt -102.04 -34.25 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -71.34 62.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.535 HG22 ' CE1' ' A' ' 67' ' ' HIS . 41.9 p -124.29 154.97 39.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -64.6 -23.36 67.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -119.93 156.9 29.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -65.06 125.08 23.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 p -97.47 159.47 14.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.941 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 54.2 m -44.89 -67.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 108.268 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 84' ' ' VAL . 71.5 t -63.6 -36.74 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.95 -59.51 8.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.528 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.2 t -63.9 -45.19 90.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.3 m170 -52.67 -44.36 66.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 80' ' ' VAL . 78.1 t -55.04 -38.29 45.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -34.09 61.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 82' ' ' CYS . 73.2 t -72.51 -53.32 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 97' ' ' LEU . 10.1 mtmm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -11.81 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.76 -4.41 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.96 -13.26 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 93' ' ' LYS . 28.5 mt -116.95 -39.56 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.47 ' HB ' HG13 ' A' ' 80' ' ' VAL . 18.1 p -119.15 19.16 12.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.49 147.21 46.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.2 m -87.16 -49.06 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.56 140.25 50.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 69.85 47.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.59 -173.16 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -74.48 -29.92 61.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 75.2 m -83.62 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.281 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -98.17 128.61 44.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.281 -0.636 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.03 25.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 169.32 2.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -83.32 166.44 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.9 18.88 45.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -74.3 92.97 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.789 ' HB2' HG22 ' A' ' 19' ' ' VAL . 4.9 ttpm? -89.29 143.95 26.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.5 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 19.8 mtp -111.64 96.25 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 5.3 tm-20 -105.26 65.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.18 -10.48 14.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 p -132.83 176.24 8.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -10.34 33.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -128.42 94.69 34.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' A' ' 11' ' ' MET . 18.3 Cg_endo -74.97 166.46 29.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 71.5 t -150.02 151.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.789 HG22 ' HB2' ' A' ' 10' ' ' LYS . 53.5 t -116.47 112.74 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.471 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 87.3 t80 -95.98 168.46 10.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -139.89 131.91 27.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -90.42 -8.2 51.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -92.33 -5.38 52.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 m -101.95 -30.66 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.471 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 59.2 m80 -101.96 35.14 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.39 -40.18 85.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 p -70.24 -13.3 62.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.66 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 137.07 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -58.25 -31.35 67.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.01 -4.52 83.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -78.46 -35.03 47.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.2 m -104.69 -54.68 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -75.94 73.17 2.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -63.88 148.28 95.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.544 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.038 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 1.8 m-30 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.531 0.205 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.53 174.5 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 130.72 35.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.58 -46.32 89.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.323 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.0 51.29 3.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -94.72 131.52 40.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.7 108.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.48 -12.44 13.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.7 m -105.58 -91.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -107.78 65.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.652 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -126.42 76.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 t -108.15 -32.28 7.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -64.57 -19.26 65.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.12 92.88 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -52.02 -37.8 54.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.0 OUTLIER -81.73 -1.35 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.461 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -99.51 -17.78 17.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.631 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 m -100.49 8.28 8.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.428 ' O ' HG23 ' A' ' 80' ' ' VAL . 9.6 mmt -118.92 -9.59 10.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 71' ' ' ASP . 11.3 m80 -135.44 -63.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.66 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -38.2 131.49 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.85 -34.24 10.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -71.0 65.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.5 p -126.6 156.1 41.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -64.33 -24.97 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -120.25 155.19 33.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.74 127.03 29.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.31 163.05 12.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.047 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 57.9 m -48.18 -66.61 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.335 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.99 ' O ' HG23 ' A' ' 84' ' ' VAL . 96.2 t -63.51 -39.09 84.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.4 -58.68 7.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.73 -46.09 86.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.2 m170 -51.95 -44.32 63.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 109.566 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 80' ' ' VAL . 93.8 t -54.93 -37.33 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -33.96 60.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.2 t -73.23 -51.55 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 97' ' ' LEU . 4.1 mtmp? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -9.97 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -5.2 11.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.518 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -119.69 -0.51 10.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' LYS . 22.4 mt -125.81 -49.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.496 ' HB ' HG13 ' A' ' 80' ' ' VAL . 21.6 p -109.76 9.58 24.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.41 148.24 37.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.45 -58.39 2.6 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -119.58 142.65 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 66.3 49.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.81 -173.31 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -74.71 -29.11 61.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.11 -62.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -100.29 139.87 35.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.78 -166.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -103.61 168.82 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.99 10.57 75.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.892 HD13 ' O ' ' A' ' 9' ' ' LEU . 1.2 tm? -74.56 95.68 2.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.938 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.55 161.84 14.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -115.49 128.55 56.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 4.1 tm-20 -127.08 62.52 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.51 -20.3 15.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p -123.84 -178.77 4.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -72.97 -4.83 34.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.47 90.81 39.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.453 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.4 Cg_endo -75.0 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 17' ' ' PRO . 69.0 t -155.25 147.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.938 HG22 ' HB3' ' A' ' 10' ' ' LYS . 73.1 t -105.9 115.22 47.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -100.52 162.0 13.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -139.72 146.07 39.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -100.53 -20.59 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.581 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 t -78.74 -0.91 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.9 m -105.32 -32.75 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -101.28 35.59 2.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -66.3 -43.71 85.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.1 p -68.27 -15.46 63.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -85.14 141.31 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 137.92 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.45 -34.49 72.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.325 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.61 -2.29 68.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -82.29 -31.7 29.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -106.33 -55.6 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.75 58.12 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -42.64 149.28 0.49 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.624 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.532 1.807 . . . . 0.0 111.008 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.471 0.177 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.23 174.36 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.31 136.75 32.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.92 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.35 52.45 3.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -94.11 133.35 37.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 110.359 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.8 104.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.13 -9.78 11.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.4 m -107.54 -100.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -99.65 75.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -135.44 78.9 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.5 p -106.84 -35.17 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -64.83 -20.01 66.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.48 100.98 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -59.68 -43.81 93.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -75.78 -0.09 19.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.475 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.9 t60 -99.84 -20.87 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.595 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.0 m -97.33 8.16 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.4 mmt -115.76 -15.18 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.0 m80 -131.6 -63.17 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.614 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -39.38 123.88 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -32.15 15.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.16 71.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.2 p -135.81 156.05 49.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.363 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -64.69 -25.06 67.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -116.43 159.29 22.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.42 125.75 27.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.5 p -96.03 160.72 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.5 m -48.56 -66.18 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.65 ' O ' HG23 ' A' ' 84' ' ' VAL . 69.1 t -63.66 -37.65 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.44 -58.98 8.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.496 ' O ' HG23 ' A' ' 86' ' ' VAL . 44.3 t -63.69 -45.67 88.97 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.2 m170 -52.37 -45.01 65.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.561 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 80' ' ' VAL . 39.2 t -57.25 -37.29 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -32.73 62.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 82' ' ' CYS . 96.1 t -76.09 -52.46 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.472 ' CB ' ' HG3' ' A' ' 94' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 97' ' ' LEU . 14.1 mmtt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.472 ' HG3' ' CB ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -63.96 -11.81 31.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.27 -6.56 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.58 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -123.46 5.11 9.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 96' ' ' ASP . 26.9 mt -127.63 -48.68 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.517 ' HB ' HG13 ' A' ' 80' ' ' VAL . 18.4 p -112.36 5.14 18.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.18 149.0 32.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.59 -56.63 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.71 141.03 52.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 73.35 40.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.78 -174.0 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -74.93 -29.79 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 79.2 m -82.71 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 108.27 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -100.47 138.11 37.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.578 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.06 15.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.61 145.51 44.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.22 147.95 50.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.8 27.63 6.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.15 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -74.5 100.6 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.756 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.735 ' HB2' HG22 ' A' ' 19' ' ' VAL . 41.1 tttt -91.51 148.1 22.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -133.39 99.63 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 13.4 tm-20 -105.52 66.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.16 -17.13 28.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 p -126.39 -179.98 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -64.3 -12.05 37.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.29 98.87 40.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.457 ' HB3' ' CG ' ' A' ' 12' ' ' GLU . 18.3 Cg_endo -75.01 157.51 42.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.8 t -140.07 155.42 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.735 HG22 ' HB2' ' A' ' 10' ' ' LYS . 38.0 t -122.24 113.59 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -100.43 149.4 23.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -123.51 129.72 51.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -83.09 -24.02 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.609 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.6 p -75.78 -2.08 28.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.0 m -104.0 -33.67 8.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -101.35 36.17 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -68.44 -39.17 81.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.0 -10.79 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.02 141.23 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -72.52 134.1 45.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.65 -36.72 69.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.44 -3.84 59.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 15.9 t0 -79.85 -33.53 40.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.16 -54.89 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -76.73 59.41 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 28.6 p80 -45.56 148.64 1.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.587 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.45 0.167 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -135.58 145.34 46.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 135.94 56.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.9 -53.32 57.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 108.313 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.87 52.61 3.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -94.07 133.35 37.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 110.421 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.78 103.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.11 -9.02 11.28 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.45 1.094 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -107.74 -101.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.493 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.4 m-70 -97.85 74.63 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.65 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.07 80.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.6 p -112.89 -33.06 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.041 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -64.89 -12.81 53.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.68 98.05 1.14 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.153 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.31 -44.42 75.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.0 OUTLIER -74.59 -0.54 18.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.509 ' CE1' HG22 ' A' ' 74' ' ' THR . 0.6 OUTLIER -98.07 -19.33 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.612 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.493 HG11 ' CE1' ' A' ' 52' ' ' HIS . 3.8 m -98.14 9.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.9 mmt -118.15 -12.3 10.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.3 m80 -135.81 -63.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -38.03 125.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -29.64 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -70.76 60.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.509 HG22 ' CE1' ' A' ' 67' ' ' HIS . 44.8 p -125.88 153.84 43.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -64.88 -28.51 69.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 67.2 m-85 -110.07 156.85 20.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -65.59 122.59 17.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.66 159.64 14.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.7 m -45.87 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.969 ' O ' HG23 ' A' ' 84' ' ' VAL . 75.5 t -63.75 -35.5 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.8 -60.26 8.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.519 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.8 t -63.67 -44.97 92.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.7 m170 -52.95 -44.26 66.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 80' ' ' VAL . 53.0 t -55.46 -38.05 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -34.29 62.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 82' ' ' CYS . 68.2 t -72.39 -54.03 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 97' ' ' LEU . 6.2 mtmp? . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -64.29 -11.72 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -121.84 -5.77 9.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.86 -9.76 13.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 93' ' ' LYS . 18.1 mt -119.49 -40.48 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.586 ' HB ' HG13 ' A' ' 80' ' ' VAL . 18.6 p -119.75 19.07 12.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.34 155.24 49.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -94.67 -39.19 10.45 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 137.78 31.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.4 tttp 73.87 40.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.97 -171.65 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -74.46 -27.99 60.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.0 m -86.72 -67.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -96.35 147.05 24.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.572 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.647 ' OXT' ' HG3' ' A' ' 107' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.25 16.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.548 1.814 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.7 171.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -94.27 157.72 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.24 30.28 17.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -74.69 93.65 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.903 ' HB2' HG22 ' A' ' 19' ' ' VAL . 6.7 tttp -95.99 123.14 39.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.406 ' O ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -109.6 109.01 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 8.0 tm-20 -108.97 68.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.17 -17.57 27.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -126.55 179.28 5.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.45 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -64.45 -11.76 36.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.96 96.98 39.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 18.4 Cg_endo -74.95 164.05 34.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 63.6 t -142.37 152.05 18.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.903 HG22 ' HB2' ' A' ' 10' ' ' LYS . 41.5 t -119.36 114.17 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -107.78 138.63 43.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -119.25 113.87 21.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -64.85 -21.4 66.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.579 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.5 p -75.23 -3.53 33.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -103.35 -33.63 9.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -101.67 36.31 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -67.99 -38.19 82.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.4 p -73.17 -15.67 61.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.0 t -85.43 141.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -73.43 142.87 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.55 -31.77 73.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 108.318 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.31 -4.26 78.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -80.39 -34.43 36.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -105.43 -55.12 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.319 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -75.87 57.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.559 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 27.1 p80 -43.27 148.94 0.59 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.482 0.182 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.33 175.04 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 128.2 34.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.85 -45.84 71.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 108.264 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.18 51.77 3.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.59 136.36 36.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.74 109.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.91 -16.37 13.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.563 1.165 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 95.2 m -104.38 -100.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.406 ' CE1' HG11 ' A' ' 68' ' ' VAL . 97.2 m-70 -100.06 71.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.557 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -133.4 77.91 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 t -106.01 -35.83 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -64.69 -20.4 66.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.73 92.04 0.27 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.435 1.084 . . . . 0.0 111.01 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -52.74 -39.11 61.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -78.45 -0.42 29.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.529 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -101.69 -14.6 17.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.406 HG11 ' CE1' ' A' ' 52' ' ' HIS . 2.7 m -101.87 8.48 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 80' ' ' VAL . 13.3 mmt -117.26 -14.04 10.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' ASP . 7.1 m80 -133.43 -62.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.586 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.547 ' OD2' ' ND2' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -38.72 125.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.87 -30.46 14.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 73' ' ' ASN . 3.7 p-10 -71.33 65.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.438 HG22 ' CE1' ' A' ' 67' ' ' HIS . 41.5 p -129.57 156.28 44.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -65.3 -27.23 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -114.22 156.8 23.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -64.02 126.35 27.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 p -99.04 155.86 17.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 57.5 m -42.79 -66.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.3 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.002 ' O ' HG23 ' A' ' 84' ' ' VAL . 98.9 t -63.54 -37.42 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.94 -59.26 8.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.499 ' O ' HG23 ' A' ' 86' ' ' VAL . 43.9 t -63.56 -45.49 90.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.7 m170 -52.95 -44.22 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 80' ' ' VAL . 81.7 t -57.03 -37.53 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -33.87 62.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 82' ' ' CYS . 78.7 t -75.02 -54.07 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 97' ' ' LEU . 23.7 mtmt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -64.69 -10.6 28.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.84 -15.55 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -120.29 4.15 10.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 96' ' ' ASP . 13.7 mt -123.22 -46.81 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.492 ' HB ' HG13 ' A' ' 80' ' ' VAL . 19.2 p -117.97 8.54 12.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.44 149.31 43.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.0 m -87.17 -58.15 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.09 135.73 54.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.78 49.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.39 -174.78 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -75.3 -31.33 60.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 68.6 m -80.84 -62.02 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 108.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -101.94 145.55 29.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 109.602 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.72 150.95 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.5 150.15 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.4 25.99 7.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 9' ' ' LEU . 1.1 tm? -74.68 104.3 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.773 . . . . 0.0 109.344 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.939 ' HB2' HG22 ' A' ' 19' ' ' VAL . 4.5 tttt -102.61 146.49 28.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.403 ' SD ' ' OH ' ' A' ' 65' ' ' TYR . 1.7 ptp -124.14 104.65 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 1.6 tm-20 -104.52 67.54 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.29 -10.09 26.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.1 p -135.29 177.27 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -63.96 -14.9 57.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -119.69 97.26 49.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 160.0 40.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 60.0 t -142.02 152.71 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.939 HG22 ' HB2' ' A' ' 10' ' ' LYS . 41.8 t -119.55 117.38 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -106.02 144.83 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -121.06 130.16 53.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -82.24 -26.37 33.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.622 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.4 p -74.47 -2.99 28.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -102.33 -32.04 10.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -103.29 37.18 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -68.92 -40.2 79.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 p -71.76 -9.29 58.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.6 t -91.83 142.39 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 135.39 44.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 m -58.56 -28.86 65.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.65 -3.54 89.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -79.51 -33.98 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.0 m -104.89 -54.49 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.79 56.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 21.3 p80 -41.76 148.34 0.46 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.632 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.474 0.178 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.08 170.63 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 135.36 36.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.29 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.76 52.42 3.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.2 133.52 38.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 0.726 . . . . 0.0 110.41 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.89 107.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.29 -12.45 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.9 m -105.62 -99.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.468 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.1 m-70 -100.23 81.12 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.65 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.04 81.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -112.21 -28.5 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -7.0 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.33 91.43 0.94 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.403 ' OH ' ' SD ' ' A' ' 11' ' ' MET . 69.0 t80 -50.84 -37.47 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -83.44 0.26 46.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -104.2 -8.38 19.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.468 HG11 ' CE1' ' A' ' 52' ' ' HIS . 2.1 m -105.28 7.28 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.458 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -121.85 -5.86 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.4 m80 -134.51 -62.51 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 70' ' ' HIS . 2.4 t70 -39.08 133.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HE3' HG21 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -104.69 -20.75 13.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -86.48 56.93 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 p -117.21 158.33 24.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -64.75 -26.01 68.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -117.78 157.07 27.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -62.69 122.35 15.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 2.9 p -95.86 157.78 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 50.0 m -44.92 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 108.284 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.815 ' O ' HG23 ' A' ' 84' ' ' VAL . 92.7 t -63.67 -36.55 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.42 -59.44 9.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.5 t -63.91 -45.21 90.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 12.6 m170 -53.0 -44.54 67.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.641 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 80' ' ' VAL . 49.7 t -57.6 -37.52 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.52 -33.7 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 82' ' ' CYS . 92.9 t -74.95 -54.07 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.463 ' CB ' ' HG2' ' A' ' 94' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 22.9 mttt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -63.83 -11.58 28.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.98 -8.59 14.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -118.36 1.23 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 93' ' ' LYS . 19.9 mt -126.37 -45.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.62 ' HB ' HG13 ' A' ' 80' ' ' VAL . 16.4 p -116.44 13.03 15.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.61 153.09 47.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.4 m -90.24 -56.87 3.05 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.77 134.23 54.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.45 46.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.39 -173.71 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -74.82 -30.69 61.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.3 m -83.01 -63.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -100.09 132.6 45.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 18.2 Cg_endo -75.01 -12.34 21.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.54 1.81 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 47.51 -172.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.35 149.0 81.29 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.4 Cg_endo -74.98 172.84 15.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 179.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -94.09 168.87 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.96 22.32 59.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.07 102.03 4.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.668 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -112.13 153.87 26.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.498 ' HE2' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -129.19 113.81 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.2 tm-20 -108.19 67.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.16 -10.06 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.408 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 12.0 p -131.53 176.48 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -64.76 -11.77 40.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.35 99.44 36.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.54 37.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.821 HG21 ' C2D' ' A' ' 111' ' ' HEC . 74.2 t -143.03 153.92 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.668 HG22 ' CB ' ' A' ' 10' ' ' LYS . 45.9 t -120.8 114.53 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.565 ' HB3' HD13 ' A' ' 9' ' ' LEU . 63.0 t80 -100.61 165.03 11.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -144.84 138.5 27.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -93.88 -20.19 20.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.554 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -77.12 -3.03 37.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.742 HG21 HBA1 ' A' ' 110' ' ' HEC . 23.7 m -105.17 -34.83 7.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 59.9 m80 -99.23 34.66 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.68 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -67.71 -35.82 79.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 p -76.5 -11.77 59.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 t -88.8 143.15 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 137.63 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 m -60.04 -33.09 71.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.8 -4.28 76.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.479 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 14.6 t0 -79.94 -33.4 39.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.482 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.9 m -105.45 -55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -76.4 56.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 27.0 p80 -41.97 148.67 0.46 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.578 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.96 135.01 18.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 72.6 t -125.01 114.73 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 2.1 t-20 82.55 -1.13 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.84 0.48 56.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.48 141.07 38.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.89 127.4 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -149.19 159.84 43.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.744 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 17.3 m-30 -98.26 93.58 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -124.17 176.26 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.33 134.14 33.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.438 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.4 m -56.72 -44.28 81.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.87 48.57 3.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -89.25 130.93 35.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.92 102.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.3 -7.82 10.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.7 m -108.74 -92.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.4 ' CE1' HG11 ' A' ' 68' ' ' VAL . 94.9 m-70 -107.11 74.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -135.75 76.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.8 p -107.98 -30.87 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.64 34.83 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 58' ' ' LYS . 1.1 t70 -105.04 -35.0 7.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.64 -64.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -82.23 72.2 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -140.63 -51.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.47 ' HA ' ' CG ' ' A' ' 67' ' ' HIS . 3.6 pttm 41.99 90.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -157.87 -54.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.465 ' HB1' HAD1 ' A' ' 109' ' ' HEC . . . -179.44 -54.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -19.68 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.66 93.31 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -53.25 -40.98 65.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -78.47 0.25 26.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.566 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.3 t60 -99.38 -30.73 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.641 HG12 ' C3A' ' A' ' 109' ' ' HEC . 3.5 m -87.03 8.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.2 mmt -117.69 -13.36 10.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 12.6 m80 -132.91 -60.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.588 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 2.1 t70 -39.0 132.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.81 -29.55 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -76.41 60.52 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.691 HG22 ' O1A' ' A' ' 109' ' ' HEC . 37.6 p -122.24 157.39 31.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -64.71 -24.6 67.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -118.54 157.92 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -65.24 125.36 24.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.78 162.19 13.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.6 m -49.05 -66.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.943 ' O ' HG23 ' A' ' 84' ' ' VAL . 74.6 t -63.64 -35.6 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.49 -59.82 8.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.3 t -63.69 -45.19 91.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.5 m170 -52.86 -44.33 66.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.943 HG23 ' O ' ' A' ' 80' ' ' VAL . 67.9 t -56.98 -37.67 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -34.12 62.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 82' ' ' CYS . 72.3 t -74.03 -53.7 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.69 83.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.67 -122.0 1.24 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.13 60.93 0.64 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -111.34 -17.02 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.683 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . 61.37 146.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 84.03 -50.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 97' ' ' LEU . 11.1 mttm -66.75 -45.66 77.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' CG ' ' OG1' ' A' ' 98' ' ' THR . 1.6 ttpp -64.77 -10.3 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -14.9 20.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.531 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -122.7 5.07 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.651 ' O ' HMC1 ' A' ' 111' ' ' HEC . 13.5 mt -123.24 -44.75 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.588 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 19.2 p -119.56 6.09 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.14 144.76 48.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.538 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 11.4 m -81.29 -51.99 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -124.63 140.06 53.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mttt 72.15 46.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.55 -173.58 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 2.8 mmtt -75.08 -29.34 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.6 m -85.15 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.291 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -95.05 132.74 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.597 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.944 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.705 HMB1 HBB3 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.052 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.821 ' C2D' HG21 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.96 -89.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.29 157.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.457 ' N ' HMB2 ' A' ' 108' ' ' HEC . . . -65.16 142.0 98.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.516 ' HD3' ' C4A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -74.98 166.2 29.72 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.27 -170.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -101.68 169.22 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.76 21.79 65.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.759 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.91 105.56 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.647 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -114.89 150.88 34.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.485 ' CE ' ' O2D' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -123.64 114.24 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 1.5 tm-20 -108.63 67.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.82 -11.66 23.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.439 HG23 ' CGD' ' A' ' 111' ' ' HEC . 10.0 p -129.37 176.27 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -64.9 -11.69 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.19 99.2 37.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.85 40.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.855 HG21 ' C1D' ' A' ' 111' ' ' HEC . 73.9 t -140.9 152.42 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.647 HG22 ' CB ' ' A' ' 10' ' ' LYS . 49.8 t -117.29 118.48 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 9' ' ' LEU . 57.6 t80 -107.55 163.26 13.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -141.62 147.38 37.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -101.05 -21.8 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.539 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.71 -4.84 45.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.7 m -102.37 -31.99 10.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.464 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 63.8 m80 -101.78 35.94 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -67.86 -40.73 83.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.7 p -71.41 -13.45 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.8 t -87.4 140.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 139.76 50.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.0 m -62.92 -27.94 69.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 108.297 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.95 -1.12 90.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 17.9 t0 -82.4 -31.89 29.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.546 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.7 m -105.9 -55.43 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 108.269 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -75.38 57.2 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -41.21 148.69 0.39 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.622 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.7 t -86.65 -64.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.88 35.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.31 0.1 76.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.103 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -121.62 142.51 50.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 0.809 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -92.8 80.96 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -81.23 138.95 35.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 1.091 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 13.9 m-30 -91.36 81.96 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -121.89 173.44 7.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 132.22 37.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.443 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.4 m -57.59 -47.55 81.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.347 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.88 51.5 3.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.9 131.58 42.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.435 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.69 108.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.82 -13.55 13.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m -105.53 -90.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.429 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.4 m-70 -109.55 70.8 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -133.01 75.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.7 t -108.2 -25.82 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.66 34.3 9.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -128.7 69.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.49 -52.37 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.0 62.26 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -171.91 90.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.24 145.37 26.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.12 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.25 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -70.73 -7.38 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.45 91.73 0.76 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -51.2 -42.14 60.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -78.53 -0.64 30.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.506 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.9 t60 -99.28 -26.75 14.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.635 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.691 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.8 m -90.74 8.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.413 ' O ' HG23 ' A' ' 80' ' ' VAL . 9.2 mmt -118.06 -13.02 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 14.2 m80 -132.49 -61.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.564 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.9 t70 -38.87 132.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -27.97 12.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -76.73 61.18 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.811 HG22 ' O1A' ' A' ' 109' ' ' HEC . 42.7 p -123.32 157.37 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -64.75 -25.32 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -117.94 157.04 27.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.75 125.75 25.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 p -99.35 157.61 16.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.6 m -43.9 -66.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 108.283 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.904 ' O ' HG23 ' A' ' 84' ' ' VAL . 88.9 t -63.46 -35.6 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.7 -59.93 8.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.45 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.9 t -63.76 -45.53 89.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.42 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 13.0 m170 -52.56 -44.07 65.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.617 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 80' ' ' VAL . 56.0 t -56.69 -37.78 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -33.58 63.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 82' ' ' CYS . 89.4 t -74.19 -51.23 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.465 ' CB ' ' HG3' ' A' ' 94' ' ' LYS . . . -72.27 -12.05 60.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . -36.92 119.06 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 88' ' ' GLY . . . 40.25 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 0.799 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.56 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 19.2 t0 -165.05 -43.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.702 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . 75.2 144.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 84.49 -48.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' A' ' 97' ' ' LEU . 3.4 mmtm -73.14 -41.12 64.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -63.91 -11.08 24.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.24 -8.51 14.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.546 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -120.95 2.91 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.731 ' O ' HMC1 ' A' ' 111' ' ' HEC . 15.8 mt -125.19 -46.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.56 ' HB ' HG13 ' A' ' 80' ' ' VAL . 19.2 p -114.84 7.75 15.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.5 148.86 46.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.484 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 8.8 m -84.75 -57.44 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.14 139.51 53.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 74.09 42.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -174.08 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.565 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 18.6 mmtm -74.99 -29.91 61.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 52.4 m -83.25 -66.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -94.14 142.94 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.091 HMB3 ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 1.021 ' CGD' HMD1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.051 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.855 ' C1D' HG21 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.573 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 18.5 Cg_endo -74.94 -87.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 172.71 155.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.445 ' N ' HMB2 ' A' ' 108' ' ' HEC . . . -64.75 142.32 98.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.513 ' HD3' ' C4A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -75.02 164.01 34.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.96 -172.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -100.08 159.77 14.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.76 26.34 29.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.714 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.92 96.8 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.985 ' HB2' HG22 ' A' ' 19' ' ' VAL . 2.9 tttt -101.73 142.02 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.645 ' HE2' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -122.74 112.18 17.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 10.0 tm-20 -108.84 68.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.409 ' H ' ' CGD' ' A' ' 111' ' ' HEC . . . -98.0 -9.02 26.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.442 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 16.8 p -131.9 176.86 8.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -64.62 -11.63 37.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -126.42 101.21 28.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.63 36.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.784 HG21 ' C2D' ' A' ' 111' ' ' HEC . 67.4 t -143.16 152.86 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.985 HG22 ' HB2' ' A' ' 10' ' ' LYS . 43.9 t -118.63 113.8 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -103.52 163.98 11.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -141.44 141.68 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.271 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -95.88 -19.7 19.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.6 -1.7 35.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -105.64 -36.28 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.497 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 61.1 m80 -97.55 33.45 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -41.52 92.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.2 p -70.01 -15.75 63.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -85.23 141.08 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 139.1 49.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.6 m -62.36 -27.4 69.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.06 -1.37 90.3 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.501 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 19.6 t0 -82.77 -32.35 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.595 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.6 m -105.04 -55.74 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.51 57.26 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -40.43 148.65 0.34 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.627 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.495 HG21 HBC2 ' A' ' 109' ' ' HEC . 36.8 t -84.82 -69.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.82 32.21 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.58 0.32 89.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -117.34 143.77 45.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.57 70.37 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -75.1 145.66 42.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 1.151 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 13.3 m-30 -95.61 87.04 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.4 174.7 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 132.99 35.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.446 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.5 m -58.3 -49.23 77.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.306 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.76 51.49 3.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.73 131.83 41.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.83 108.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.11 -13.79 12.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.6 m -105.51 -91.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -109.0 69.66 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -130.53 76.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -105.41 -35.07 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.87 35.78 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 11.7 m-20 -142.06 86.34 1.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.609 1.193 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -41.72 -52.65 3.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.26 56.06 2.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 11.4 t70 -122.95 -58.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.534 ' HA ' ' CG ' ' A' ' 67' ' ' HIS . 0.0 OUTLIER 63.21 -139.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.7 m 72.16 -71.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -178.69 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -10.99 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.16 96.95 1.01 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.75 -44.23 73.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -75.75 0.16 18.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 60' ' ' LYS . 1.6 t60 -99.26 -21.87 15.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.696 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.8 m -96.87 8.9 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.478 ' O ' HG23 ' A' ' 80' ' ' VAL . 12.1 mmt -117.42 -14.51 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 7.9 m80 -132.6 -63.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.637 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -37.84 132.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.657 ' HD3' HG21 ' A' ' 84' ' ' VAL . 19.9 mttp -99.49 -32.74 10.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -69.47 65.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.585 HG22 ' O1A' ' A' ' 109' ' ' HEC . 58.4 p -129.88 153.34 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -64.7 -25.44 67.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -115.91 155.71 27.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -64.06 126.29 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.63 161.71 13.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.4 m -47.86 -66.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.985 ' O ' HG23 ' A' ' 84' ' ' VAL . 98.0 t -63.56 -37.84 80.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.91 -59.22 8.3 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.483 ' O ' HG23 ' A' ' 86' ' ' VAL . 45.0 t -63.72 -45.85 88.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.451 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 13.2 m170 -52.62 -44.09 65.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.633 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.1 t -56.31 -38.51 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -33.82 62.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 82' ' ' CYS . 85.1 t -73.23 -52.47 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.75 -31.74 73.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.357 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.69 -102.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.53 65.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.674 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 8.6 t0 -112.41 -32.87 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 90' ' ' ASP . . . 82.97 -76.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.49 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 90.0 mttt -81.65 -36.01 29.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -64.42 -9.38 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.64 -10.53 12.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.437 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -114.46 -3.5 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.703 ' O ' HMC1 ' A' ' 111' ' ' HEC . 17.9 mt -121.9 -46.68 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.541 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 19.4 p -115.03 15.1 17.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.16 152.56 46.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.54 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 1.7 m -91.35 -50.38 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.11 139.73 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp 70.91 45.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.6 -172.63 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.536 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 10.3 mmtm -74.4 -30.75 62.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.8 m -83.42 -63.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -97.96 141.1 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.597 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.151 HMB3 ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.785 ' CGD' HMD1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.04 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.842 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.478 ' HD2' ' CE2' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -75.0 176.84 9.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -90.09 169.43 11.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.96 153.39 88.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.512 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.1 Cg_endo -75.08 173.32 14.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 159.06 15.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -77.42 163.08 26.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.21 25.24 34.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.774 HD11 HBD1 ' A' ' 108' ' ' HEC . 0.1 OUTLIER -74.96 98.25 3.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 1.011 ' HB2' HG22 ' A' ' 19' ' ' VAL . 2.1 ttpm? -103.61 143.74 32.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.554 ' HE2' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -120.21 103.92 9.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 1.6 tm-20 -102.21 65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' H ' ' CGD' ' A' ' 111' ' ' HEC . . . -96.22 -10.39 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.563 HG23 ' O2D' ' A' ' 111' ' ' HEC . 69.6 p -132.67 176.58 8.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.32 -14.36 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -119.53 98.56 50.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.8 42.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.842 HG21 ' C1D' ' A' ' 111' ' ' HEC . 67.0 t -139.91 145.56 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.011 HG22 ' HB2' ' A' ' 10' ' ' LYS . 47.4 t -111.85 117.65 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.484 ' HB3' HD13 ' A' ' 9' ' ' LEU . 86.4 t80 -106.39 149.5 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -127.16 137.86 53.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -91.49 -27.05 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 m -74.23 -3.06 27.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.695 HG21 HBA1 ' A' ' 110' ' ' HEC . 34.0 m -102.83 -30.85 10.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.418 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 65.8 m80 -102.49 34.92 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.608 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -65.1 -43.29 92.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.2 p -69.17 -8.04 41.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.2 140.43 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.04 142.03 45.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -63.06 -30.93 71.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 108.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.74 -3.83 84.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 17.4 t0 -80.89 -31.63 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.8 m -107.65 -55.07 2.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.33 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -76.33 56.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.571 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.1 p80 -41.68 148.54 0.44 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.568 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.07 117.31 4.85 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.669 HG21 HBC2 ' A' ' 109' ' ' HEC . 40.7 t -86.71 -68.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -97.53 34.63 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.78 -0.31 88.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -115.75 151.75 34.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.52 66.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -74.91 130.98 40.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.647 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 9.5 m-30 -78.54 91.89 4.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.08 174.64 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.31 131.46 35.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.495 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.5 m -56.95 -46.46 82.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.25 49.03 3.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -93.82 132.83 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.421 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.71 111.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.86 -16.11 18.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.3 m -103.8 -91.61 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -109.07 74.1 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.643 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -135.75 75.76 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 t -107.1 -32.38 7.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.83 34.86 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -106.03 -32.54 8.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.448 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER 69.83 -63.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -90.75 68.55 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -143.3 -47.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HA ' ' CG ' ' A' ' 67' ' ' HIS . 0.1 OUTLIER 66.0 -119.76 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m 63.45 -78.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -173.96 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -65.09 -22.9 67.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.49 94.27 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -54.72 -41.86 70.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.5 t80 -76.97 -0.0 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.489 ' CE1' ' H2A' ' A' ' 109' ' ' HEC . 2.0 t60 -100.25 -18.76 16.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.59 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.677 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.9 m -99.34 8.82 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 80' ' ' VAL . 9.0 mmt -117.45 -13.15 10.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.9 m80 -133.51 -63.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -38.54 132.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.25 -32.31 10.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -71.41 67.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.812 HG22 ' O2A' ' A' ' 109' ' ' HEC . 45.8 p -130.45 156.27 45.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -64.97 -24.27 67.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -118.96 156.7 29.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -64.01 127.02 29.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 p -99.32 156.91 16.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.7 m -43.36 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 108.282 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.996 ' O ' HG23 ' A' ' 84' ' ' VAL . 97.4 t -63.34 -37.61 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.67 -59.96 7.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.582 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.9 t -63.49 -44.91 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.533 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 13.5 m170 -52.79 -44.07 66.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 80' ' ' VAL . 83.2 t -55.92 -41.98 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 -34.45 62.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 82' ' ' CYS . 85.5 t -70.34 -52.04 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.87 -18.9 65.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 41.3 -115.95 0.84 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.06 77.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -156.13 96.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -46.66 -47.94 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.43 -63.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.551 ' O ' ' N ' ' A' ' 97' ' ' LEU . 20.5 mttt -65.14 -34.31 78.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' O ' ' OG1' ' A' ' 98' ' ' THR . 18.4 tttm -66.91 -8.57 30.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' ALA . 9.0 ttmt -119.53 -8.46 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.232 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.1 -22.08 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.813 ' O ' HMC1 ' A' ' 111' ' ' HEC . 19.8 mt -108.01 -47.56 3.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.537 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 29.9 p -108.43 16.76 22.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.89 147.68 50.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.48 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 9.9 m -85.92 -62.2 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -119.79 139.04 52.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 71.6 49.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.16 -171.22 2.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.455 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 5.6 mmtm -74.68 -27.98 60.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 70.8 m -86.07 -63.63 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 108.292 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -96.69 130.1 43.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.58 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.961 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.812 ' O2A' HG22 ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.054 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.842 ' C1D' HG21 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.629 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.629 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 18.2 Cg_endo -74.96 133.53 16.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 166.23 23.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.93 154.13 86.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.1 Cg_endo -75.02 165.1 32.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.69 -177.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.94 169.54 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.15 21.7 62.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.755 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.91 101.95 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 0.728 . . . . 0.0 109.36 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.657 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -112.0 148.23 34.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.1 114.58 21.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 6.1 tm-20 -110.02 68.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.07 -12.19 22.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.443 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 8.7 p -130.47 176.12 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -65.08 -10.95 34.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -123.39 95.85 44.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.96 34.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.74 HG21 ' C1D' ' A' ' 111' ' ' HEC . 89.1 t -145.68 153.55 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.657 HG22 ' CB ' ' A' ' 10' ' ' LYS . 50.5 t -117.63 114.53 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.603 ' HB3' HD13 ' A' ' 9' ' ' LEU . 52.7 t80 -99.8 163.85 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -144.67 136.65 25.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -92.69 -18.08 23.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.569 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.436 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 3.7 t -79.37 -2.23 40.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.461 HG21 ' CBA' ' A' ' 110' ' ' HEC . 24.6 m -106.15 -35.3 7.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 61.2 m80 -98.71 34.11 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 11.0 mtpt -67.97 -36.04 79.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.8 p -74.92 -13.81 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.1 t -87.9 142.96 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.74 139.81 47.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.1 m -62.32 -27.69 69.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.88 -1.2 90.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.502 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 20.7 t0 -84.37 -25.03 29.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.51 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.7 m -113.41 -55.37 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -76.64 55.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.455 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 27.0 p80 -40.36 148.61 0.33 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.99 123.69 8.07 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.535 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 94.6 t -110.39 114.91 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t-20 85.47 -8.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.22 0.65 33.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 142.31 40.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.746 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -106.62 133.23 51.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -150.38 170.75 18.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.734 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 18.4 m-30 -115.28 87.85 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.09 174.46 6.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.76 135.03 35.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.464 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.3 m -58.45 -49.64 76.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 108.324 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.66 51.67 3.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.74 131.87 41.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.92 107.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.14 -14.01 11.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.3 m -106.15 -93.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -105.95 68.94 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -130.26 75.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 t -110.78 -24.18 10.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.45 35.95 12.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.428 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -134.28 95.9 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.71 -44.5 96.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 53.83 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 56' ' ' ASP . 12.2 t70 -158.9 93.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -92.97 135.81 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.3 p 178.31 -67.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -177.2 -43.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -70.64 -7.35 43.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.64 91.92 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -50.31 -41.08 50.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.5 t80 -79.38 0.08 30.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.457 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.2 t60 -101.28 -15.04 17.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.742 HG12 ' C3A' ' A' ' 109' ' ' HEC . 1.5 m -103.47 7.93 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.245 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.3 mmt -115.78 -16.53 11.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 71' ' ' ASP . 5.8 m80 -132.62 -62.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.555 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -38.94 119.88 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.697 ' HD3' HG21 ' A' ' 84' ' ' VAL . 3.7 mttp -85.57 -38.97 17.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.19 79.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.455 ' HB ' ' CBA' ' A' ' 109' ' ' HEC . 40.6 p -143.5 155.62 44.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -24.14 67.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -118.85 158.61 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -66.3 128.09 34.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 p -97.17 161.19 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 59.0 m -48.66 -66.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.999 ' O ' HG23 ' A' ' 84' ' ' VAL . 77.1 t -63.82 -36.88 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.26 -58.75 9.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.46 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.7 t -63.49 -45.16 92.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.466 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 14.7 m170 -52.61 -44.15 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 80' ' ' VAL . 93.5 t -55.89 -37.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -34.33 62.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 82' ' ' CYS . 90.3 t -73.29 -53.65 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.1 77.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 54.31 -97.53 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.98 58.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.623 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 26.0 t0 -103.68 -19.66 14.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 90' ' ' ASP . . . 78.88 -76.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.61 -57.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 97' ' ' LEU . 5.7 mttp -65.22 -38.0 89.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -64.21 -10.2 21.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.91 -7.14 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.531 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -118.28 -0.05 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.808 ' O ' HMC1 ' A' ' 111' ' ' HEC . 16.0 mt -125.31 -49.19 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.571 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 17.9 p -110.86 10.81 22.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.09 150.11 46.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.598 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 5.6 m -88.77 -49.43 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -128.5 137.89 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 72.53 45.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.32 -172.49 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.612 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 10.5 mmtm -74.43 -29.77 61.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 57.0 m -85.94 -67.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 108.346 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -94.79 128.43 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.573 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.951 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.742 ' C3A' HG12 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.044 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.808 HMC1 ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.452 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -74.98 152.72 41.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.15 166.52 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.03 155.75 82.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.01 169.34 22.84 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.82 175.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.04 169.84 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.99 26.43 58.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.09 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.717 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.48 99.85 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.986 ' HB2' HG22 ' A' ' 19' ' ' VAL . 1.3 ttmp? -105.61 143.56 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.637 ' HE2' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -122.72 111.89 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.9 tm-20 -107.64 67.62 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' H ' ' CGD' ' A' ' 111' ' ' HEC . . . -96.71 -11.57 24.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.428 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 13.8 p -129.72 176.98 7.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -64.45 -11.64 35.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -125.85 102.21 28.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 159.92 40.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.9 HG21 ' C2D' ' A' ' 111' ' ' HEC . 55.0 t -140.97 148.57 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.986 HG22 ' HB2' ' A' ' 10' ' ' LYS . 48.5 t -114.54 117.44 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -107.09 161.41 14.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -139.33 141.42 37.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -96.03 -18.77 19.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -79.81 -1.33 38.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.957 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.404 ' CG2' ' O2A' ' A' ' 110' ' ' HEC . 26.4 m -106.07 -37.3 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -96.68 33.06 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -65.28 -38.54 90.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -11.98 60.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.955 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.5 140.19 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -71.26 139.3 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 m -61.74 -31.61 71.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.57 -4.27 80.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 12.5 t0 -79.09 -34.92 43.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.542 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 2.4 m -104.9 -54.84 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.279 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.61 56.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.621 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.454 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 27.6 p80 -43.38 149.33 0.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.557 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 134.91 18.4 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.555 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 99.5 t -129.87 109.8 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 10.2 t-20 87.17 -14.39 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.22 0.88 29.81 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.36 100.91 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.22 106.22 17.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 1.5 t0 -135.43 178.63 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.678 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 7.9 m-85 -108.93 125.74 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.482 ' HG3' ' CMC' ' A' ' 109' ' ' HEC . 0.0 OUTLIER -157.33 177.49 11.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.1 130.8 34.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.428 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.3 m -57.74 -46.06 84.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.62 51.9 3.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -94.65 131.78 40.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.384 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.82 105.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.32 -11.04 10.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.22 -93.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -105.86 66.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.69 74.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.1 p -102.02 -34.01 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.12 33.98 13.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' LYS . 5.3 t0 -103.5 -44.48 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.469 ' HE3' ' CGA' ' A' ' 111' ' ' HEC . 0.0 OUTLIER 68.27 -67.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -69.51 63.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' LYS . 4.5 m-20 -171.48 167.03 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -150.91 136.9 18.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.2 OUTLIER 177.86 -64.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' SER . . . -179.59 -46.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -65.06 -15.52 62.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.87 91.98 0.28 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -51.02 -39.47 55.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -80.38 -1.04 39.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.594 ' CE1' ' H2A' ' A' ' 109' ' ' HEC . 0.8 OUTLIER -100.43 -14.29 18.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.602 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.726 HG12 ' C3A' ' A' ' 109' ' ' HEC . 1.6 m -104.13 8.71 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.0 mmt -118.44 -9.04 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' ASP . 8.7 m80 -137.37 -62.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -37.58 126.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 -29.13 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -76.25 65.99 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.813 HG22 ' O2A' ' A' ' 109' ' ' HEC . 40.9 p -127.89 158.02 38.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.452 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -64.64 -24.67 67.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -121.16 154.65 35.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -62.26 126.29 26.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.31 161.32 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' HA ' ' CHC' ' A' ' 110' ' ' HEC . 59.8 m -45.24 -65.14 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.573 HG13 ' HB ' ' A' ' 98' ' ' THR . 77.9 t -63.43 -49.39 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -39.78 -58.21 2.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.443 ' O ' HG23 ' A' ' 86' ' ' VAL . 38.3 t -63.13 -47.81 81.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.519 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 15.1 m170 -51.71 -44.05 63.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.651 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 80' ' ' VAL . 55.8 t -55.37 -39.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -34.33 61.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.479 HG21 HMD3 ' A' ' 110' ' ' HEC . 98.7 t -72.17 -51.62 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 88' ' ' GLY . . . -64.66 -26.29 68.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . 37.25 -120.85 0.77 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.69 69.7 3.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 0.776 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.409 ' OD1' ' HB3' ' A' ' 92' ' ' ALA . 11.2 t70 -152.63 95.93 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -50.21 -56.04 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.409 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -39.31 -61.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 97' ' ' LEU . 28.9 mtmt -64.52 -37.06 86.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -10.4 25.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -117.97 -7.96 10.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 0.9 OUTLIER -115.34 -3.99 12.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.755 ' O ' HMC1 ' A' ' 111' ' ' HEC . 26.9 mt -124.24 -47.93 1.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.573 ' HB ' HG13 ' A' ' 80' ' ' VAL . 12.2 p -112.31 15.04 20.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.03 163.86 10.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.599 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 1.3 m -104.91 -41.21 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -138.16 140.0 39.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.7 40.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -172.07 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 12.4 mmtm -74.51 -29.8 61.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.5 m -84.85 -64.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 108.31 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -95.68 124.67 39.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.951 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.813 ' O2A' HG22 ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.035 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.9 ' C2D' HG21 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.672 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.672 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 18.3 Cg_endo -74.97 143.79 29.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -79.15 178.64 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.93 153.09 89.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.0 Cg_endo -75.03 174.66 12.41 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.55 159.94 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -80.94 173.13 12.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.1 29.22 62.91 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.712 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.8 98.25 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.991 ' HB2' HG22 ' A' ' 19' ' ' VAL . 2.0 ttpt -101.94 142.37 33.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.575 ' CE ' ' CGD' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -123.17 107.3 11.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 9.6 tm-20 -105.52 66.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.53 -13.03 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.635 HG23 ' O2D' ' A' ' 111' ' ' HEC . 72.2 p -132.02 178.04 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -15.55 60.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -119.33 96.39 49.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.33 41.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.654 HG21 ' C1D' ' A' ' 111' ' ' HEC . 68.8 t -139.6 153.51 23.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.991 HG22 ' HB2' ' A' ' 10' ' ' LYS . 40.5 t -119.72 115.61 48.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -107.51 137.99 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -120.79 117.38 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -67.05 -24.3 65.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.411 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -71.86 -5.04 31.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.691 HG21 ' CGA' ' A' ' 110' ' ' HEC . 34.0 m -103.64 -32.93 9.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 64.3 m80 -102.13 36.08 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 18.5 mtpt -68.86 -39.2 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.6 p -70.86 -14.61 62.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -88.12 143.0 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 145.27 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -65.48 -32.12 73.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.66 -4.69 76.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.505 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 13.1 t0 -80.65 -35.17 34.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.527 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 2.2 m -104.88 -55.39 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -77.08 66.66 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.849 ' CE1' HG22 ' A' ' 37' ' ' VAL . 32.6 p80 -55.91 148.31 38.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.654 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.849 HG22 ' CE1' ' A' ' 35' ' ' HIS . 59.2 t -84.82 91.55 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 64.94 -82.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.95 2.95 5.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.69 140.02 30.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.15 61.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -130.09 48.05 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.51 ' HB3' ' C4A' ' A' ' 108' ' ' HEC . 1.8 m-85 45.06 96.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 168.37 17.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.48 133.74 38.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.88 -52.02 66.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.56 53.02 2.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -98.01 132.71 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.398 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.65 111.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.29 -16.98 17.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.53 -94.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.407 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.6 m-70 -105.19 69.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.61 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -129.4 76.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -111.06 -22.11 11.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 44.13 36.54 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -138.27 86.98 2.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.585 ' CG ' ' CE1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -57.65 -61.88 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -71.19 65.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 5.9 t0 -149.17 -47.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER 87.13 -150.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.598 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.4 OUTLIER 72.8 170.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.34 -32.24 68.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -64.53 -19.45 65.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.57 90.01 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.402 ' O ' ' SD ' ' A' ' 69' ' ' MET . 56.3 t80 -50.43 -37.52 38.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 3.5 t80 -80.11 1.83 26.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -107.8 -2.81 19.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.558 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.712 HG12 ' C3A' ' A' ' 109' ' ' HEC . 1.5 m -112.05 5.64 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.742 ' HG2' HMD2 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -120.17 -7.74 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 71' ' ' ASP . 23.3 m80 -132.49 -63.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.62 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' HIS . 1.6 t70 -38.65 142.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.739 ' HE2' HG21 ' A' ' 84' ' ' VAL . 20.5 mttt -110.09 -27.89 8.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -77.92 61.04 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.834 HG22 ' O1A' ' A' ' 109' ' ' HEC . 57.1 p -123.24 154.74 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.19 -26.15 68.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 77.8 m-85 -115.44 155.83 26.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -63.53 123.47 18.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.1 160.17 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.9 m -49.45 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 108.328 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.998 ' O ' HG23 ' A' ' 84' ' ' VAL . 90.5 t -63.52 -36.98 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.41 -59.73 8.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.507 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.7 t -63.29 -44.95 93.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.596 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 13.6 m170 -53.02 -44.52 67.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 80' ' ' VAL . 80.9 t -56.88 -37.22 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -34.06 62.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 82' ' ' CYS . 99.6 t -73.5 -53.75 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.3 -32.52 74.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.46 -101.61 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.36 62.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 27.0 t70 -112.97 -8.27 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 68.32 -74.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -41.13 -58.4 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' LEU . 2.2 mttp -64.57 -32.16 73.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -67.99 -9.12 43.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -125.01 -5.05 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.89 -23.0 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.539 ' O ' HMC1 ' A' ' 111' ' ' HEC . 43.6 mt -109.27 -30.29 8.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.632 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 21.1 p -127.55 21.36 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.453 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.18 144.48 34.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.594 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 8.8 m -83.43 -52.48 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -126.97 132.85 50.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 77.07 51.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.68 -173.6 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -74.62 -30.06 61.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 85.7 m -83.66 -63.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -102.12 145.34 29.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.935 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.834 ' O1A' HG22 ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.042 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.75 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.548 ' HD2' ' CE2' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -74.98 -169.1 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.83 166.88 11.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.91 149.49 96.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.532 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.04 165.13 31.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.571 1.827 . . . . 0.0 111.03 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.59 162.99 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -81.99 164.23 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.21 25.28 34.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.855 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -75.17 92.1 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.943 ' HB2' HG22 ' A' ' 19' ' ' VAL . 10.5 tttm -92.39 146.11 23.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.444 ' HB3' ' H2D' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -132.15 104.03 6.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 1.7 tm-20 -103.95 65.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.573 ' HB3' ' O1D' ' A' ' 111' ' ' HEC . . . -85.67 -15.51 42.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.599 HG23 ' CGD' ' A' ' 111' ' ' HEC . 3.7 p -127.94 179.88 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -64.54 -11.44 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.78 101.77 39.13 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.86 38.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.785 HG21 ' C2D' ' A' ' 111' ' ' HEC . 59.4 t -144.63 152.46 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.943 HG22 ' HB2' ' A' ' 10' ' ' LYS . 51.1 t -123.38 113.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.636 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 59.3 t80 -100.1 173.85 6.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -147.11 139.83 24.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -96.29 -14.05 22.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.59 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 p -85.24 -4.51 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.972 HG21 HBA1 ' A' ' 110' ' ' HEC . 30.6 m -103.79 -32.99 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.636 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 60.5 m80 -100.13 34.87 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.609 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -68.07 -36.67 80.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -12.57 60.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 t -87.36 141.37 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.0 133.77 45.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 m -57.14 -30.87 64.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 108.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.63 -4.06 87.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 10.9 t0 -79.25 -30.25 43.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.7 m -108.48 -53.95 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -78.23 54.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 33.5 p80 -42.11 149.45 0.43 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.632 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 124.34 8.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.572 ' CG2' ' CE1' ' A' ' 35' ' ' HIS . 61.5 t -115.69 118.64 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 21.9 t30 83.56 -3.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.82 -3.03 52.47 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -104.82 145.28 30.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.58 126.49 54.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.58 167.16 26.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.791 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 17.0 m-30 -106.07 89.91 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 172.18 8.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.69 136.32 35.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.424 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.5 m -58.66 -50.43 73.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 108.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.48 51.61 3.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -94.55 131.77 39.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 110.436 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.73 105.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.01 -10.51 11.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m -108.77 -94.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.431 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.0 m-70 -105.02 68.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.559 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -131.27 74.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.4 p -113.35 -34.62 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.73 33.02 15.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -116.02 68.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.424 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -41.38 -51.75 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -93.35 86.24 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -160.56 -59.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt 62.85 131.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.27 -66.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' HAD1 ' A' ' 109' ' ' HEC . . . -176.71 -51.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -65.32 -16.67 63.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.05 93.59 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -53.15 -39.87 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.747 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -81.26 1.06 34.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.574 ' CE1' ' H2A' ' A' ' 109' ' ' HEC . 1.4 t60 -100.54 -24.03 14.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.696 HG12 ' C3A' ' A' ' 109' ' ' HEC . 3.0 m -94.31 8.64 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.9 mmt -118.18 -12.44 10.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.2 m80 -134.54 -62.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.625 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.8 OUTLIER -37.93 119.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -26.1 20.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -79.62 71.1 6.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.802 HG22 ' O2A' ' A' ' 109' ' ' HEC . 40.6 p -132.89 159.01 41.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -65.45 -25.65 67.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -118.59 156.95 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -63.61 127.16 30.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 p -98.48 160.95 13.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.4 m -47.38 -67.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 108.326 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.994 ' O ' HG23 ' A' ' 84' ' ' VAL . 72.2 t -63.9 -35.21 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.78 -58.99 9.86 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.501 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.9 t -63.78 -44.39 93.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.427 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 13.6 m170 -53.14 -44.49 67.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.994 HG23 ' O ' ' A' ' 80' ' ' VAL . 76.3 t -56.76 -37.42 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -33.89 62.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 82' ' ' CYS . 83.6 t -74.71 -55.35 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.43 92.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.88 -120.41 1.06 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.095 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.37 60.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -111.3 -17.68 13.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.682 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . 61.31 146.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 83.78 -50.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 97' ' ' LEU . 16.2 mmtt -67.0 -44.85 79.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.449 ' CG ' ' OG1' ' A' ' 98' ' ' THR . 8.3 ttpt -64.34 -10.77 26.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.82 -14.8 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -121.13 4.52 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.767 ' O ' HMC1 ' A' ' 111' ' ' HEC . 14.4 mt -123.8 -47.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.585 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 22.4 p -115.54 6.84 14.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.29 141.43 46.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.599 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 15.4 m -78.78 -49.81 12.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -124.65 142.73 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt 67.92 48.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 p -122.19 -175.16 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 4.0 mmtt -74.84 -28.24 60.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.9 m -85.44 -69.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.287 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -92.83 139.23 30.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.549 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.993 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.974 ' CGD' HMD1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.046 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.785 ' C2D' HG21 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 18.2 Cg_endo -75.07 140.48 25.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -75.43 170.52 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.7 155.32 89.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.02 169.25 23.02 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.56 177.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.68 173.06 7.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.96 23.69 68.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.32 100.6 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.664 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -109.82 153.74 23.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.558 ' HE2' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -129.23 116.98 19.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 4.8 tm-20 -110.42 67.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.1 -14.59 22.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.434 ' N ' ' O2D' ' A' ' 111' ' ' HEC . 14.3 p -126.57 177.35 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -65.27 -11.25 39.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.95 100.84 33.08 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.31 39.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.564 1.823 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.847 HG21 ' C2D' ' A' ' 111' ' ' HEC . 82.8 t -141.87 154.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.664 HG22 ' CB ' ' A' ' 10' ' ' LYS . 47.7 t -120.32 114.76 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.558 ' HB3' HD13 ' A' ' 9' ' ' LEU . 62.1 t80 -101.41 163.36 12.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -142.97 139.25 30.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.307 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -94.96 -20.74 19.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.44 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -76.79 -1.23 27.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.039 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 m -106.33 -36.7 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.398 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.529 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 56.5 m80 -97.38 33.49 1.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 19.7 mtpt -66.95 -36.56 82.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.6 p -74.85 -15.27 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -86.6 143.56 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.32 139.59 46.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 m -62.09 -29.63 70.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 108.368 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.15 -2.79 87.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.485 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 21.5 t0 -81.11 -33.57 33.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.647 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 2.2 m -105.06 -55.72 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 108.298 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.49 58.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' HE1' HG22 ' A' ' 37' ' ' VAL . 25.7 p80 -42.66 149.01 0.5 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.589 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.04 109.56 2.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG22 ' HE1' ' A' ' 35' ' ' HIS . 24.8 t -84.78 97.74 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m120 61.45 44.32 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.92 -0.16 67.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 12.3 mttm -87.43 112.59 22.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.44 91.82 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.43 169.5 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.637 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 18.5 m-30 -103.08 91.29 4.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -123.28 174.91 7.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 134.4 34.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.3 m -58.59 -48.2 81.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.35 51.08 3.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.58 132.05 41.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.756 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.64 109.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.41 -13.68 15.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.1 m -104.85 -91.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -109.17 69.8 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -131.88 76.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 t -106.78 -28.37 10.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.29 35.25 19.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -136.5 76.86 1.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -42.99 -45.59 5.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -81.96 59.76 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -162.18 97.44 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.53 142.75 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.573 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 5.9 t 169.47 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 61' ' ' SER . . . 171.74 -39.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -72.39 -6.11 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.65 93.66 1.26 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -51.97 -41.06 61.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 0.807 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -79.93 -0.48 35.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.4 t60 -99.32 -22.48 15.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.63 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.3 m -96.05 9.4 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.5 mmt -118.58 -11.89 9.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 71' ' ' ASP . 6.9 m80 -136.25 -63.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -36.38 134.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.685 ' HD2' HG21 ' A' ' 84' ' ' VAL . 1.1 mtpm? -94.17 -43.57 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.93 82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.512 ' HA ' ' CGA' ' A' ' 109' ' ' HEC . 64.1 p -145.03 149.75 35.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -22.55 67.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 60.0 m-85 -119.17 157.82 27.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -67.07 128.23 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.99 162.09 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.6 m -48.79 -66.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 108.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.947 ' O ' HG23 ' A' ' 84' ' ' VAL . 70.6 t -63.65 -36.36 76.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.22 -59.3 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.511 ' O ' HG23 ' A' ' 86' ' ' VAL . 48.1 t -63.43 -45.69 89.76 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.422 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 12.3 m170 -52.92 -44.06 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.591 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.0 t -57.1 -37.58 56.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -34.27 61.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 82' ' ' CYS . 94.5 t -73.5 -53.98 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.77 85.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.41 -108.62 1.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.55 17.27 18.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.88 84.52 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -47.63 -48.77 28.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -45.07 -27.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 97' ' ' LEU . 2.8 mmtp -102.38 -40.01 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -64.33 -9.5 18.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -100.9 -19.31 15.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.455 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -113.74 1.39 14.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.797 ' O ' HMC1 ' A' ' 111' ' ' HEC . 13.3 mt -122.89 -52.35 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.55 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 21.3 p -109.88 10.84 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.07 147.54 50.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.548 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 11.3 m -84.12 -39.38 19.55 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -136.63 149.35 47.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.01 37.57 9.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.12 -172.57 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.935 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 14.7 mmtt -74.6 -28.52 60.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 11.5 m -89.28 -66.99 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -94.7 146.58 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.931 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.739 HMB1 HBB3 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.036 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.847 ' C2D' HG21 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.473 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 18.1 Cg_endo -75.03 -1.06 10.74 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.502 ' C ' HMB2 ' A' ' 108' ' ' HEC . 0.0 OUTLIER 40.07 -158.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.67 153.26 50.03 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -74.99 177.83 8.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.86 -179.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.99 169.12 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.09 26.14 56.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.731 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.49 98.87 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 1.015 ' HB2' HG22 ' A' ' 19' ' ' VAL . 3.2 ttpt -104.99 145.89 29.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.802 ' HE2' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -124.16 103.75 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.3 tm-20 -101.92 65.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.28 -13.35 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.607 HG23 ' O1D' ' A' ' 111' ' ' HEC . 70.0 p -131.67 177.32 7.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -63.9 -14.91 57.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.27 97.69 50.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.27 42.41 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.556 1.819 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.701 HG21 ' C1D' ' A' ' 111' ' ' HEC . 61.7 t -141.5 146.34 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.015 HG22 ' HB2' ' A' ' 10' ' ' LYS . 46.0 t -113.14 115.42 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.534 ' HB3' HD13 ' A' ' 9' ' ' LEU . 81.8 t80 -104.9 162.81 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -141.42 145.78 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -97.53 -24.96 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.597 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 m -73.0 -4.32 31.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.451 HG21 HBA2 ' A' ' 110' ' ' HEC . 46.7 m -104.05 -32.66 9.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.423 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.493 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 65.6 m80 -101.44 35.23 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -67.79 -43.76 78.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.1 p -66.95 -14.07 62.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -87.87 142.79 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -75.04 141.83 43.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.98 -32.9 74.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.358 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.56 -2.85 76.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.494 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 16.9 t0 -82.62 -31.98 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.619 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.6 m -106.49 -56.16 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.246 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -76.14 59.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.51 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 28.5 p80 -44.28 149.38 0.73 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 128.08 11.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.51 ' CG2' ' CE1' ' A' ' 35' ' ' HIS . 81.0 t -118.25 118.78 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 20.2 t30 82.23 -1.68 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.52 -2.39 53.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -103.51 153.17 20.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.78 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.9 121.11 33.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -147.45 156.65 43.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.592 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 14.1 m-85 -90.79 97.86 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 172.36 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.07 135.6 33.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.447 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.6 m -57.22 -49.94 74.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.24 51.9 3.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -93.25 131.81 38.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.11 103.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.97 -8.37 10.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.5 m -109.3 -95.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -103.53 74.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.605 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -132.2 79.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.1 p -108.63 -27.35 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 40.4 35.62 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -109.27 -42.04 4.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.37 -65.04 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.7 mmtp -72.26 63.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' SER . 30.5 p-10 -173.7 54.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' ASP . 16.3 mmtt -40.12 97.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.593 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 14.1 p -152.38 172.98 15.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB1' HAD1 ' A' ' 109' ' ' HEC . . . -54.48 -48.98 71.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -64.98 -19.91 66.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.16 88.65 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.25 -36.93 44.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.1 t80 -80.64 -2.88 48.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 61' ' ' SER . 1.0 OUTLIER -99.55 -18.37 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.565 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.629 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.7 m -97.48 9.2 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.481 ' O ' HG23 ' A' ' 80' ' ' VAL . 11.4 mmt -119.79 -8.83 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.0 m80 -136.7 -62.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.7 t70 -38.49 140.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.769 ' HD3' HG21 ' A' ' 84' ' ' VAL . 7.8 mttm -105.78 -33.99 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -69.01 66.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.691 HG22 ' O2A' ' A' ' 109' ' ' HEC . 63.0 p -130.63 152.06 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -64.37 -26.32 68.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -114.46 155.97 25.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 126.17 27.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 p -98.83 155.68 17.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' SG ' ' SD ' ' A' ' 69' ' ' MET . 55.5 m -42.69 -66.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.331 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.986 ' O ' HG23 ' A' ' 84' ' ' VAL . 92.7 t -63.46 -37.84 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.94 -59.77 7.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.519 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.6 t -63.61 -45.01 92.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.505 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 14.5 m170 -53.06 -44.54 67.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.58 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 80' ' ' VAL . 72.5 t -56.15 -36.37 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -34.12 59.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 82' ' ' CYS . 59.3 t -74.53 -54.25 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 88' ' ' GLY . . . -64.59 -20.81 66.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . 35.91 -128.83 0.87 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.22 73.15 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.673 ' OD1' ' HB3' ' A' ' 92' ' ' ALA . 14.1 t0 -153.05 89.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -42.01 -50.34 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.673 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -43.38 -62.85 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -65.1 -32.25 73.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -1.39 20.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -119.01 -4.12 10.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.62 -40.12 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.565 HD11 HBD1 ' A' ' 110' ' ' HEC . 20.5 mt -87.87 -30.84 19.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.604 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 23.5 p -128.18 14.28 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.6 152.68 51.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.764 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 1.3 m -90.65 -56.33 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 139.81 53.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 69.48 47.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.7 -172.46 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -74.86 -30.21 61.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 82.3 m -84.02 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -96.74 143.07 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.937 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 1.025 ' CGD' HMD1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.041 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.802 HMD1 ' HE2' ' A' ' 11' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.566 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 18.1 Cg_endo -75.08 -175.74 2.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -88.75 160.41 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.09 154.5 86.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -75.05 167.01 27.94 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.779 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.83 -179.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.72 178.72 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.15 26.65 73.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.685 HD11 HBD1 ' A' ' 108' ' ' HEC . 0.3 OUTLIER -74.89 97.4 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.945 ' HB2' HG22 ' A' ' 19' ' ' VAL . 13.0 ttpp -101.48 144.58 30.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.955 ' SD ' HMD1 ' A' ' 111' ' ' HEC . 1.4 ptp -120.79 106.35 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 4.1 tm-20 -105.03 68.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.415 ' H ' ' CGD' ' A' ' 111' ' ' HEC . . . -98.87 -11.42 21.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.52 HG23 ' O2D' ' A' ' 111' ' ' HEC . 71.7 p -132.22 176.5 8.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -64.07 -14.19 52.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' HBD2 ' A' ' 111' ' ' HEC . 0.8 OUTLIER -120.78 97.97 48.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 161.98 37.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.627 HG21 ' C1D' ' A' ' 111' ' ' HEC . 69.5 t -144.06 153.08 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.945 HG22 ' HB2' ' A' ' 10' ' ' LYS . 53.3 t -117.72 117.58 55.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -106.9 165.1 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -141.16 148.9 40.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -102.31 -18.69 15.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.552 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -80.62 -3.53 50.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.652 HG21 HBA2 ' A' ' 110' ' ' HEC . 23.0 m -102.68 -33.02 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.483 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 63.9 m80 -100.88 35.68 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.537 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -67.06 -43.26 83.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.4 p -69.13 -12.84 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.7 t -87.29 139.49 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.61 134.5 46.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 m -57.46 -29.21 64.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.43 -4.0 88.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 16.7 t0 -79.49 -33.5 42.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 0.798 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.582 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.8 m -104.84 -55.12 2.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' HIS . 94.2 m-70 -76.15 56.81 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.404 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 20.6 p80 -39.64 148.07 0.31 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.99 119.69 5.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 46.2 t -102.75 114.36 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.9 t30 82.48 -5.56 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.85 0.63 34.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -108.11 144.31 35.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.3 136.47 43.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.51 164.06 35.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CD2' ' HD2' ' A' ' 2' ' ' PRO . 13.5 m-30 -120.34 79.91 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.06 -179.37 3.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.41 1.069 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -81.81 135.92 35.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 m -60.93 -48.85 79.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.284 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.25 52.84 2.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.15 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -96.73 132.72 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.85 108.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.81 -13.35 13.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.1 m -105.29 -95.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.438 ' CE1' HG11 ' A' ' 68' ' ' VAL . 95.9 m-70 -103.78 68.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.619 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -131.23 77.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.6 p -112.17 -26.15 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.8 34.97 20.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.412 ' CB ' ' HB2' ' A' ' 59' ' ' ASP . 58.4 m-20 -130.52 76.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.522 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -40.15 -57.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 66.73 5.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 15.0 t0 -141.27 -56.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.7 OUTLIER 66.08 -145.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER 84.5 -70.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.033 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.71 -46.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -64.97 -12.13 46.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -68.73 92.55 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.417 ' OH ' ' SD ' ' A' ' 11' ' ' MET . 83.3 t80 -53.39 -37.11 62.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -86.02 0.79 52.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.534 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.1 t60 -99.41 -28.77 13.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.674 HG12 ' C3A' ' A' ' 109' ' ' HEC . 3.2 m -88.26 9.74 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.9 mmt -118.96 -12.21 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.3 m80 -135.11 -60.74 0.76 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.3 t70 -37.84 128.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.786 ' HD3' HG21 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -99.47 -27.06 13.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -77.95 63.06 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.534 HG22 ' CE1' ' A' ' 67' ' ' HIS . 42.6 p -125.95 156.26 40.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.441 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -64.95 -24.57 67.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -117.28 158.78 23.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -66.26 124.36 22.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 p -96.64 157.67 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 57.3 m -43.55 -67.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 108.252 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.008 ' O ' HG23 ' A' ' 84' ' ' VAL . 96.1 t -63.8 -39.05 84.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.71 -58.93 7.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.466 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.5 t -63.42 -45.26 91.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.441 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 12.7 m170 -52.77 -43.79 66.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.536 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.008 HG23 ' O ' ' A' ' 80' ' ' VAL . 90.1 t -56.65 -37.57 53.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -34.23 62.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.529 HG21 HMD3 ' A' ' 110' ' ' HEC . 66.0 t -75.1 -55.66 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.55 94.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 39.86 -135.02 1.93 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -98.59 58.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -109.28 -19.08 13.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.652 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . 60.36 150.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 81.92 -52.14 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 97' ' ' LEU . 33.5 mttt -68.11 -41.9 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -10.94 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.47 -14.14 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.528 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -122.77 5.31 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.679 ' O ' HMC1 ' A' ' 111' ' ' HEC . 13.3 mt -123.53 -45.39 2.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.603 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 15.5 p -120.13 6.86 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.89 151.75 29.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.658 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 1.3 m -91.25 -44.95 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -129.28 140.46 51.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.93 50.04 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.27 -174.77 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 1.5 mmmt -75.3 -30.06 60.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.2 m -83.5 -65.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 108.295 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -95.59 133.17 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.951 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.773 HMB1 HBB3 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.048 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.955 HMD1 ' SD ' ' A' ' 11' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 142.74 28.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -77.85 164.57 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.74 154.95 84.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.416 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -75.06 161.87 37.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.18 -170.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -101.9 169.85 8.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.75 11.17 66.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.797 HD13 ' O ' ' A' ' 9' ' ' LEU . 1.6 tm? -74.68 96.16 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.962 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -107.36 159.72 16.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.579 ' HE1' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -111.38 131.61 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.1 tm-20 -128.87 63.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.35 -17.28 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.455 HG23 ' O1D' ' A' ' 111' ' ' HEC . 10.4 p -127.68 177.64 6.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -70.47 -6.51 36.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.14 89.65 47.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.447 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 175.88 10.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.495 HG21 ' C1D' ' A' ' 111' ' ' HEC . 79.6 t -155.21 146.66 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.962 HG22 ' HB3' ' A' ' 10' ' ' LYS . 76.7 t -105.77 116.24 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -99.82 172.71 7.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -151.23 144.82 24.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -99.79 -22.51 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.567 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.8 -3.06 32.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.65 HG21 HBA1 ' A' ' 110' ' ' HEC . 45.3 m -104.67 -34.12 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.366 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.491 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 62.5 m80 -100.06 34.91 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.616 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -66.95 -44.44 80.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.8 p -67.07 -15.86 63.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 t -85.02 141.03 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.24 139.13 47.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -61.51 -34.33 75.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.82 -2.18 69.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 15.2 t0 -82.01 -32.38 30.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.566 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.6 m -105.51 -55.23 2.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -76.26 61.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -47.26 149.19 1.87 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.579 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.31 12.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 49.9 t -114.6 112.81 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 9.4 t-20 84.02 -4.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.75 0.05 42.4 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.94 136.71 46.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.49 144.93 32.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.243 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -168.19 167.03 12.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.723 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 17.3 m-30 -104.06 94.83 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.62 176.42 6.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.76 134.77 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.46 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.4 m -58.17 -49.57 76.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.09 51.54 3.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -93.25 131.4 38.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.359 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.68 103.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.89 -8.6 10.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.7 m -108.49 -94.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -105.35 75.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.625 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -134.25 76.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.54 -40.33 6.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.49 34.49 23.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.54 -34.0 5.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.509 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 6.8 tmtt? 70.53 -61.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 66.23 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -144.26 -52.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.1 mttm 69.27 -119.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.9 t 65.47 -74.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -177.47 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -64.96 -21.13 66.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.06 98.57 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -58.24 -40.3 81.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 0.733 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -77.92 -1.42 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.3 t60 -98.92 -23.4 15.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.65 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.8 m -94.59 8.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.492 ' O ' HG23 ' A' ' 80' ' ' VAL . 11.8 mmt -117.81 -13.55 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' ASP . 14.7 m80 -131.61 -63.02 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.3 t70 -38.53 139.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.573 ' HD3' HG21 ' A' ' 84' ' ' VAL . 27.1 mttp -106.92 -33.87 7.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -69.79 63.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.822 HG22 ' O1A' ' A' ' 109' ' ' HEC . 57.5 p -125.96 154.79 42.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 110.434 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -25.49 68.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -117.14 156.19 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 126.2 26.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.7 p -99.39 158.24 15.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.401 ' SG ' ' SD ' ' A' ' 69' ' ' MET . 42.5 m -44.68 -66.96 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 108.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.938 ' O ' HG23 ' A' ' 84' ' ' VAL . 96.9 t -63.21 -36.21 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.6 -60.14 8.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.55 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.9 t -63.89 -44.65 92.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.517 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 14.1 m170 -53.11 -44.6 67.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 80' ' ' VAL . 72.6 t -57.44 -37.91 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -34.56 62.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 82' ' ' CYS . 95.1 t -73.24 -53.06 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 93' ' ' LYS . . . -64.59 -22.38 66.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . 36.91 -118.57 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -100.48 74.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 0.755 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 91' ' ' ALA . 37.4 t0 -155.06 91.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -39.93 -53.36 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.45 -64.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 87' ' ' ALA . 35.2 mtmt -64.48 -32.39 74.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -7.64 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -125.14 -4.26 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.54 -28.69 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.547 HD11 HBD1 ' A' ' 110' ' ' HEC . 40.7 mt -104.65 -29.28 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.591 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 26.2 p -127.45 20.57 6.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.429 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.89 144.09 34.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.456 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 26.9 m -82.16 -58.85 2.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -121.46 143.78 49.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.9 49.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.2 -173.34 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -75.61 -28.42 58.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 89.6 m -83.71 -62.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -100.71 141.93 32.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.654 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.95 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.997 ' CGD' HMD1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.041 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.787 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 158.7 41.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.22 177.11 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.79 151.61 94.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.519 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -74.98 169.18 23.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.92 -179.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.27 179.86 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.48 15.73 80.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 9' ' ' LEU . 1.7 tm? -77.27 96.93 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.921 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -106.43 162.67 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.527 ' HE2' ' O2D' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -115.93 130.16 56.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 1.9 tm-20 -127.92 63.83 1.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.58 -18.49 14.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 p -125.34 -179.19 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -73.32 -4.56 34.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -132.03 90.9 34.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.455 ' O ' HG23 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.02 176.22 10.2 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.543 HG21 ' C1D' ' A' ' 111' ' ' HEC . 78.8 t -155.3 146.59 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.921 HG22 ' HB3' ' A' ' 10' ' ' LYS . 71.8 t -106.61 117.3 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -95.97 178.34 5.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -162.54 120.36 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -77.92 -19.65 54.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.587 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 t -76.66 -0.53 23.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.904 HG21 ' CGA' ' A' ' 110' ' ' HEC . 22.4 m -108.06 -31.46 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.483 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 64.5 m80 -103.01 36.33 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -66.93 -42.9 84.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.8 p -69.3 -13.79 62.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.4 t -87.04 142.27 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 144.92 43.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -65.71 -31.77 72.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.92 -2.8 83.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 13.9 t0 -80.57 -34.92 34.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.674 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 3.6 m -104.92 -55.29 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 108.34 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -74.87 58.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 23.3 p80 -43.18 148.95 0.57 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.629 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.01 136.48 20.43 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 76.7 t -127.85 116.8 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 20.6 t30 82.18 -2.34 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.72 -0.08 52.51 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -106.32 145.49 31.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -119.16 120.45 37.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.29 170.16 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.699 ' CZ ' HMB3 ' A' ' 108' ' ' HEC . 18.1 m-85 -106.68 93.3 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -127.79 156.0 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.51 134.93 54.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.8 -48.38 81.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.49 52.04 3.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.14 131.76 43.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.64 109.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.31 -15.34 11.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.3 m -105.15 -90.93 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -108.26 63.22 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.635 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -120.3 60.38 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.7 t -92.2 -48.66 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.28 35.03 15.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 111.042 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' LYS . 77.7 m-20 -99.91 -38.6 8.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.44 -74.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -81.81 70.16 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.89 -61.97 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 67.37 124.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.17 -63.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.512 ' HB1' HAD1 ' A' ' 109' ' ' HEC . . . -177.94 -52.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -19.29 65.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.95 95.27 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -51.92 -45.33 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.2 t80 -75.02 -0.56 19.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.63 ' CE1' ' H2A' ' A' ' 109' ' ' HEC . 0.7 OUTLIER -100.26 -16.07 17.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.67 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.4 m -104.28 8.23 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.4 mmt -116.72 -14.4 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.9 m80 -132.31 -63.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.63 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -37.97 124.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.92 -33.04 13.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -70.53 63.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.804 HG22 ' O2A' ' A' ' 109' ' ' HEC . 45.7 p -125.93 156.14 40.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -23.88 67.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -120.14 156.51 30.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.71 126.74 28.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 p -99.46 162.01 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.1 m -46.98 -67.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 84' ' ' VAL . 80.7 t -63.63 -36.72 77.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.38 -58.53 9.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.48 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.6 t -63.83 -44.79 92.17 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.491 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 14.5 m170 -52.94 -44.24 66.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 80' ' ' VAL . 94.5 t -56.64 -37.92 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -33.94 63.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 82' ' ' CYS . 93.0 t -73.7 -52.03 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB3' ' HG3' ' A' ' 94' ' ' LYS . . . -69.91 -7.73 42.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . -36.87 121.2 0.72 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 56.55 66.65 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 8.3 t70 -156.01 -47.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 90' ' ' ASP . . . 73.94 -71.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.65 -41.21 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 97' ' ' LEU . 8.8 mmpt? -69.16 -39.01 79.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HG3' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -65.68 -8.85 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.07 -14.48 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.557 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -123.68 4.19 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.804 ' O ' HMC1 ' A' ' 111' ' ' HEC . 20.8 mt -126.59 -50.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.591 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 24.7 p -111.51 6.21 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.1 146.66 35.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.58 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 4.4 m -85.99 -53.18 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -129.55 133.3 47.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER 82.07 41.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.87 -172.68 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 8.4 mmtm -74.7 -28.17 60.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 72.9 m -84.58 -65.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.285 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -99.92 129.47 46.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.589 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.956 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.804 ' O2A' HG22 ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.051 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.804 HMC1 ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.411 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.622 ' CD ' ' CD2' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.97 -77.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.28 140.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.7 142.36 98.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 160.0 40.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.83 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -88.7 169.26 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.91 16.65 62.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.767 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.79 103.44 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.645 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -110.86 156.71 20.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.409 ' O ' ' CGD' ' A' ' 111' ' ' HEC . 0.0 OUTLIER -129.68 112.14 13.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 3.6 tm-20 -107.35 66.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.88 -13.48 22.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.413 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 13.3 p -128.28 176.6 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -64.93 -11.44 38.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -124.25 99.8 36.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.32 35.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.772 HG21 ' C1D' ' A' ' 111' ' ' HEC . 76.3 t -145.3 152.74 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.645 HG22 ' CB ' ' A' ' 10' ' ' LYS . 43.7 t -118.8 115.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' HB3' HD13 ' A' ' 9' ' ' LEU . 35.2 t80 -96.01 176.07 6.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -152.74 140.95 20.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -101.46 -19.95 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.61 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.75 -4.19 53.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.428 HG21 ' O1A' ' A' ' 110' ' ' HEC . 24.4 m -103.68 -33.51 8.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CD2' HBC2 ' A' ' 108' ' ' HEC . 60.3 m80 -99.26 34.49 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.651 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -67.15 -39.06 86.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.1 p -72.92 -12.07 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.1 t -89.16 139.14 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.01 138.72 54.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.4 m -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.24 -0.46 89.75 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.497 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 27.0 t0 -82.13 -25.85 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.614 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.7 m -112.96 -55.05 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 108.316 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -75.22 61.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 23.0 p80 -45.22 148.06 1.16 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -74.96 118.76 5.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.758 HG21 HBC2 ' A' ' 109' ' ' HEC . 48.2 t -84.53 -72.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.86 38.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.53 1.06 60.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 126.37 51.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.05 85.76 2.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -80.07 162.32 24.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.622 ' CD2' ' CD ' ' A' ' 2' ' ' PRO . 64.9 m-85 -118.2 85.03 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 176.16 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' HMC3 ' A' ' 109' ' ' HEC . 0.0 OUTLIER -78.23 141.2 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.414 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 2.7 m -64.47 -54.64 29.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.39 54.45 1.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.157 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.17 139.63 38.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.71 123.94 14.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.0 -25.88 24.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.2 m -95.12 -108.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 98.8 m-70 -93.63 70.96 4.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.37 18.14 20.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 7.7 t -81.48 103.62 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.28 35.51 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -106.23 59.78 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.436 ' HG3' ' CD2' ' A' ' 66' ' ' TYR . 2.4 tttt -41.39 -36.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -94.93 66.66 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -156.34 -46.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.152 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.45 100.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -164.72 169.08 17.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.522 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -50.92 -52.03 46.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 11.0 mttm -64.38 -24.07 67.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.12 89.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -49.28 -43.33 43.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 3.5 t80 -77.65 0.57 22.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 61' ' ' SER . 1.9 t60 -103.83 -11.46 17.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.682 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.3 m -107.66 8.07 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.484 ' O ' HG23 ' A' ' 80' ' ' VAL . 8.4 mmt -118.69 -10.48 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' ASP . 11.4 m80 -134.93 -61.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.8 OUTLIER -38.89 137.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.547 ' HD3' HG21 ' A' ' 84' ' ' VAL . 11.4 mttt -104.67 -34.45 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -69.54 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.824 HG22 ' O1A' ' A' ' 109' ' ' HEC . 62.1 p -127.02 153.38 46.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HE3' ' CZ ' ' A' ' 76' ' ' PHE . 22.0 ttpt -64.75 -24.76 67.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 57.8 m-85 -116.47 157.61 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -65.31 125.71 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 p -99.08 155.71 17.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.3 m -43.44 -66.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.934 ' O ' HG23 ' A' ' 84' ' ' VAL . 93.1 t -63.22 -35.82 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.79 -60.32 8.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.507 ' O ' HG23 ' A' ' 86' ' ' VAL . 44.0 t -63.89 -45.06 91.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.432 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 11.5 m170 -52.9 -44.41 66.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 80' ' ' VAL . 54.3 t -56.23 -38.29 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -34.27 62.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 82' ' ' CYS . 94.0 t -73.06 -53.51 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.86 -34.14 77.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.86 -110.24 0.91 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.22 62.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.642 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 12.3 t70 -109.2 -22.53 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 90' ' ' ASP . . . 80.56 -77.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.62 -53.7 2.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -68.8 -35.5 77.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -64.42 -10.73 26.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.05 -7.68 10.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -112.7 -8.43 13.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.648 ' O ' HMC1 ' A' ' 111' ' ' HEC . 16.0 mt -120.24 -43.01 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.557 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 18.7 p -117.93 19.47 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.21 156.24 45.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.58 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 1.3 m -97.36 -44.72 6.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.69 140.91 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 mttp 66.85 46.65 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.47 -173.43 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 9.9 mmtm -74.73 -30.09 61.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 64.3 m -82.74 -64.11 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -96.08 145.55 25.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.959 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.946 ' CGD' HMD1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.038 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.833 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 1' ' ' ALA . 18.4 Cg_endo -75.02 143.24 28.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -75.41 158.48 32.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.4 152.21 89.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.48 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.1 Cg_endo -74.99 155.02 42.93 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.92 177.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -88.92 163.61 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.03 17.19 35.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.803 HD11 HBD1 ' A' ' 108' ' ' HEC . 0.7 OUTLIER -74.24 93.62 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.781 ' HB2' HG22 ' A' ' 19' ' ' VAL . 1.2 tttp -89.12 147.27 24.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.516 ' CE ' ' CGD' ' A' ' 108' ' ' HEC . 25.2 mtp -115.9 94.58 4.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 8.3 tm-20 -103.01 65.0 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.62 -13.69 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.445 ' N ' ' O2D' ' A' ' 111' ' ' HEC . 11.9 p -129.55 176.61 7.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -64.77 -11.16 33.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -128.22 96.78 30.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 11' ' ' MET . 18.5 Cg_endo -74.96 165.86 30.46 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.553 HG21 ' C1D' ' A' ' 111' ' ' HEC . 71.8 t -148.69 150.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 10' ' ' LYS . 52.4 t -116.1 113.08 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -96.62 174.59 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -148.01 133.83 19.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -91.39 -10.58 40.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 m -88.82 -4.29 58.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.776 HG21 HBA2 ' A' ' 110' ' ' HEC . 18.8 m -103.26 -31.89 9.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -101.49 35.31 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -67.5 -38.2 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.9 p -73.07 -14.35 61.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.6 t -86.5 139.38 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.3 136.68 50.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.4 m -59.06 -30.88 68.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.257 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.93 -2.86 87.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.508 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 19.8 t0 -80.21 -28.59 38.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.7 m -110.39 -54.39 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -76.91 56.12 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.407 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 30.6 p80 -42.31 148.65 0.5 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.659 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.83 7.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 24.9 t -106.28 113.68 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.9 t30 84.35 -6.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.44 1.4 33.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -107.95 145.14 34.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.22 137.52 46.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -157.75 162.16 38.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.92 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 15.6 m-30 -108.19 88.63 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -122.68 176.11 6.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 133.9 35.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.469 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.4 m -57.42 -46.57 83.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.86 50.49 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.7 140.4 31.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.351 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.87 122.13 10.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.33 -25.1 27.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.9 m -95.02 -109.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.437 ' CE1' HG11 ' A' ' 68' ' ' VAL . 99.8 m-70 -93.75 69.95 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.58 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.02 20.31 18.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.48 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 4.4 t -80.49 102.49 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.98 34.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' LYS . 7.6 t0 -116.68 75.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -40.23 -55.05 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HB2' ' NZ ' ' A' ' 58' ' ' LYS . 2.0 mtmp? -73.77 64.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -173.92 93.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 141.83 28.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.1 p 179.38 -61.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.42 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -178.99 -50.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 10.1 mtmt -64.69 -22.63 67.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.52 95.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.459 ' O ' ' CG ' ' A' ' 69' ' ' MET . 69.9 t80 -54.97 -43.52 73.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.6 t80 -77.11 2.14 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.66 ' CE1' ' H2A' ' A' ' 109' ' ' HEC . 1.5 t60 -102.21 -31.94 10.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.635 HG12 ' C3A' ' A' ' 109' ' ' HEC . 3.5 m -88.06 8.96 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 4.0 mmt -120.13 -10.67 9.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 71' ' ' ASP . 15.2 m80 -135.5 -60.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.9 t70 -39.42 134.31 1.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.712 ' HD3' HG21 ' A' ' 84' ' ' VAL . 19.3 mttt -102.04 -34.25 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -71.34 62.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.822 HG22 ' O2A' ' A' ' 109' ' ' HEC . 41.9 p -124.29 154.97 39.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -64.6 -23.36 67.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -119.93 156.9 29.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -65.06 125.08 23.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 p -97.47 159.47 14.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.941 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 54.2 m -44.89 -67.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 108.268 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 84' ' ' VAL . 71.5 t -63.6 -36.74 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.95 -59.51 8.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.528 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.2 t -63.9 -45.19 90.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.544 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 14.3 m170 -52.67 -44.36 66.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 80' ' ' VAL . 78.1 t -55.04 -38.29 45.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -34.09 61.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 82' ' ' CYS . 73.2 t -72.51 -53.32 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.79 -31.28 72.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.71 -105.71 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.28 60.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.643 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 3.6 t70 -106.09 -23.19 12.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 90' ' ' ASP . . . 80.57 -73.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.436 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -46.03 -55.95 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 97' ' ' LEU . 10.1 mtmm -65.06 -32.43 74.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -11.81 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.76 -4.41 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.96 -13.26 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.68 ' O ' HMC1 ' A' ' 111' ' ' HEC . 28.5 mt -116.95 -39.56 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.59 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 18.1 p -119.15 19.16 12.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.49 147.21 46.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.577 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 3.2 m -87.16 -49.06 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.56 140.25 50.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 69.85 47.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.59 -173.16 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -74.48 -29.92 61.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 75.2 m -83.62 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.281 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -98.17 128.61 44.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.991 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.822 ' O2A' HG22 ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.045 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.777 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -17.08 19.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt 55.9 178.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.482 ' N ' HMB2 ' A' ' 108' ' ' HEC . . . -72.03 148.01 91.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HD3' ' C4A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.0 168.03 25.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 169.32 2.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -83.32 166.44 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.9 18.88 45.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.738 HD11 HBD1 ' A' ' 108' ' ' HEC . 0.5 OUTLIER -74.3 92.97 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.789 ' HB2' HG22 ' A' ' 19' ' ' VAL . 4.9 ttpm? -89.29 143.95 26.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.504 ' HE2' ' O1D' ' A' ' 108' ' ' HEC . 19.8 mtp -111.64 96.25 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 5.3 tm-20 -105.26 65.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.18 -10.48 14.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.446 ' N ' ' O2D' ' A' ' 111' ' ' HEC . 12.4 p -132.83 176.24 8.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -10.34 33.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -128.42 94.69 34.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' A' ' 11' ' ' MET . 18.3 Cg_endo -74.97 166.46 29.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.488 HG21 ' C1D' ' A' ' 111' ' ' HEC . 71.5 t -150.02 151.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.789 HG22 ' HB2' ' A' ' 10' ' ' LYS . 53.5 t -116.47 112.74 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 87.3 t80 -95.98 168.46 10.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -139.89 131.91 27.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -90.42 -8.2 51.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -92.33 -5.38 52.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.534 HG21 HBA2 ' A' ' 110' ' ' HEC . 17.3 m -101.95 -30.66 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.442 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.471 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 59.2 m80 -101.96 35.14 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.39 -40.18 85.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 p -70.24 -13.3 62.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.66 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 137.07 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -58.25 -31.35 67.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.01 -4.52 83.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.493 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 19.5 t0 -78.46 -35.03 47.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.614 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 3.2 m -104.69 -54.68 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -75.94 73.17 2.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.672 ' CE1' HG22 ' A' ' 37' ' ' VAL . 30.9 p80 -63.88 148.28 95.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.544 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 109.19 2.88 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.829 HG12 ' NZ ' ' A' ' 40' ' ' LYS . 86.4 t -84.69 86.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.86 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.85 3.64 5.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.829 ' NZ ' HG12 ' A' ' 37' ' ' VAL . 3.0 mttp -96.58 137.47 35.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.22 78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -141.23 46.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.52 ' HB3' ' C4A' ' A' ' 108' ' ' HEC . 1.8 m-30 45.51 89.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.53 174.5 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 130.72 35.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.4 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.2 m -59.58 -46.32 89.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.323 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.0 51.29 3.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -94.72 131.52 40.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.7 108.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.48 -12.44 13.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.7 m -105.58 -91.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -107.78 65.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.652 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -126.42 76.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 t -108.15 -32.28 7.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.51 35.6 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -138.43 82.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -47.94 -53.69 15.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -73.48 59.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -164.45 88.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.34 141.16 28.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 24.0 p 174.35 -60.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 61' ' ' SER . . . 177.29 -48.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -64.57 -19.26 65.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.12 92.88 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -52.02 -37.8 54.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.0 OUTLIER -81.73 -1.35 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.638 ' CE1' ' H2A' ' A' ' 109' ' ' HEC . 0.7 OUTLIER -99.51 -17.78 17.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.631 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.709 HG12 ' C3A' ' A' ' 109' ' ' HEC . 1.6 m -100.49 8.28 8.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.428 ' O ' HG23 ' A' ' 80' ' ' VAL . 9.6 mmt -118.92 -9.59 10.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 71' ' ' ASP . 11.3 m80 -135.44 -63.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.66 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -38.2 131.49 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.85 -34.24 10.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -71.0 65.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.822 HG22 ' O2A' ' A' ' 109' ' ' HEC . 45.5 p -126.6 156.1 41.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -64.33 -24.97 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -120.25 155.19 33.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.74 127.03 29.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.31 163.05 12.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.047 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 57.9 m -48.18 -66.61 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.335 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.99 ' O ' HG23 ' A' ' 84' ' ' VAL . 96.2 t -63.51 -39.09 84.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.4 -58.68 7.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.73 -46.09 86.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.502 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 14.2 m170 -51.95 -44.32 63.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 109.566 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 80' ' ' VAL . 93.8 t -54.93 -37.33 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -33.96 60.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.511 HG21 HMD3 ' A' ' 110' ' ' HEC . 87.2 t -73.23 -51.55 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -64.81 -28.4 69.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.48 -121.95 1.19 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.065 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.36 46.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' ALA . 32.5 t0 -124.88 88.33 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -45.89 -55.55 6.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . -38.92 -61.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 97' ' ' LEU . 4.1 mtmp? -65.46 -33.53 76.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -64.45 -9.97 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -5.2 11.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.518 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -119.69 -0.51 10.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.78 ' O ' HMC1 ' A' ' 111' ' ' HEC . 22.4 mt -125.81 -49.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.58 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 21.6 p -109.76 9.58 24.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.41 148.24 37.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.55 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 2.2 m -87.45 -58.39 2.6 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -119.58 142.65 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 66.3 49.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.81 -173.31 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.538 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 13.0 mmtm -74.71 -29.11 61.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.11 -62.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -100.29 139.87 35.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.963 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.822 ' O2A' HG22 ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.036 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.797 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -75.01 -14.6 21.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.69 178.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' N ' HMB2 ' A' ' 108' ' ' HEC . . . -77.65 153.33 81.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HD3' ' C4A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -74.97 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.78 -166.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -103.61 168.82 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.99 10.57 75.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.892 HD13 ' O ' ' A' ' 9' ' ' LEU . 1.2 tm? -74.56 95.68 2.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.938 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.55 161.84 14.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.488 ' HG2' ' CGD' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -115.49 128.55 56.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 4.1 tm-20 -127.08 62.52 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.51 -20.3 15.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.453 HG23 ' O1D' ' A' ' 111' ' ' HEC . 12.9 p -123.84 -178.77 4.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -72.97 -4.83 34.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.47 90.81 39.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.453 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.4 Cg_endo -75.0 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG21 ' C1D' ' A' ' 111' ' ' HEC . 69.0 t -155.25 147.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.938 HG22 ' HB3' ' A' ' 10' ' ' LYS . 73.1 t -105.9 115.22 47.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -100.52 162.0 13.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -139.72 146.07 39.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -100.53 -20.59 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.581 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 t -78.74 -0.91 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.446 HG21 HBA1 ' A' ' 110' ' ' HEC . 27.9 m -105.32 -32.75 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.382 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 64.2 m80 -101.28 35.59 2.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -66.3 -43.71 85.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.1 p -68.27 -15.46 63.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -85.14 141.31 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 137.92 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.45 -34.49 72.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.325 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.61 -2.29 68.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.5 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 15.8 t0 -82.29 -31.7 29.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.53 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.6 m -106.33 -55.6 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.303 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.75 58.12 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 26.0 p80 -42.64 149.28 0.49 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.624 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.18 17.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.807 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 97.7 t -125.45 117.8 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER 80.18 1.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.39 -1.28 58.71 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.71 153.6 19.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -130.26 112.98 13.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -139.71 150.23 44.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.949 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 16.2 m-30 -82.83 96.64 8.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.23 174.36 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' HMC3 ' A' ' 109' ' ' HEC . 0.1 OUTLIER -87.31 136.75 32.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.464 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.3 m -58.92 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.35 52.45 3.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -94.11 133.35 37.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 110.359 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.8 104.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.13 -9.78 11.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.4 m -107.54 -100.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -99.65 75.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -135.44 78.9 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.5 p -106.84 -35.17 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.18 35.38 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' LYS . 16.2 t0 -111.43 -31.22 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.07 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 69.62 -63.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -88.48 64.07 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -135.9 -55.6 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HA ' ' CG ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER 68.72 -139.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 m 77.68 -70.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -177.79 -42.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -64.83 -20.01 66.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.48 100.98 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -59.68 -43.81 93.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -75.78 -0.09 19.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.475 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.9 t60 -99.84 -20.87 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.595 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.561 HG12 ' C3A' ' A' ' 109' ' ' HEC . 3.0 m -97.33 8.16 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.4 mmt -115.76 -15.18 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.0 m80 -131.6 -63.17 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.614 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -39.38 123.88 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -32.15 15.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.16 71.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.538 ' HB ' ' CGA' ' A' ' 109' ' ' HEC . 44.2 p -135.81 156.05 49.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.363 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -64.69 -25.06 67.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -116.43 159.29 22.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.42 125.75 27.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.5 p -96.03 160.72 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.5 m -48.56 -66.18 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.65 ' O ' HG23 ' A' ' 84' ' ' VAL . 69.1 t -63.66 -37.65 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.44 -58.98 8.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.496 ' O ' HG23 ' A' ' 86' ' ' VAL . 44.3 t -63.69 -45.67 88.97 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.478 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 14.2 m170 -52.37 -45.01 65.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.561 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 80' ' ' VAL . 39.2 t -57.25 -37.29 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -32.73 62.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 82' ' ' CYS . 96.1 t -76.09 -52.46 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.472 ' CB ' ' HG3' ' A' ' 94' ' ' LYS . . . -71.03 -11.26 60.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . -36.79 118.8 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' N ' ' NZ ' ' A' ' 94' ' ' LYS . . . 40.38 90.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.575 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 8.6 t0 -164.68 -43.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.697 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . 76.13 145.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 84.1 -48.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 97' ' ' LEU . 14.1 mmtt -73.11 -39.64 65.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' HG3' ' CB ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -63.96 -11.81 31.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.27 -6.56 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.58 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -123.46 5.11 9.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.763 ' O ' HMC1 ' A' ' 111' ' ' HEC . 26.9 mt -127.63 -48.68 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.555 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 18.4 p -112.36 5.14 18.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.18 149.0 32.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.578 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 1.8 m -86.59 -56.63 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.71 141.03 52.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 73.35 40.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.78 -174.0 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -74.93 -29.79 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 79.2 m -82.71 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 108.27 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -100.47 138.11 37.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.578 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.965 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.729 HMB1 HBB3 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.044 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.763 HMC1 ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.554 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -75.05 171.31 18.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.5 173.99 6.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.5 154.38 91.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.527 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -74.96 173.06 15.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.61 145.51 44.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.22 147.95 50.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.8 27.63 6.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.15 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.014 HD11 HBD1 ' A' ' 108' ' ' HEC . 0.7 OUTLIER -74.5 100.6 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.756 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.735 ' HB2' HG22 ' A' ' 19' ' ' VAL . 41.1 tttt -91.51 148.1 22.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.814 ' SD ' HMD1 ' A' ' 111' ' ' HEC . 0.2 OUTLIER -133.39 99.63 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 13.4 tm-20 -105.52 66.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HB3' ' O1D' ' A' ' 111' ' ' HEC . . . -90.16 -17.13 28.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.574 HG23 ' CGD' ' A' ' 111' ' ' HEC . 5.1 p -126.39 -179.98 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -64.3 -12.05 37.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.29 98.87 40.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.457 ' HB3' ' CG ' ' A' ' 12' ' ' GLU . 18.3 Cg_endo -75.01 157.51 42.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.435 HG21 ' C1D' ' A' ' 111' ' ' HEC . 41.8 t -140.07 155.42 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.735 HG22 ' HB2' ' A' ' 10' ' ' LYS . 38.0 t -122.24 113.59 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -100.43 149.4 23.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -123.51 129.72 51.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -83.09 -24.02 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.609 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.6 p -75.78 -2.08 28.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.599 HG21 ' CGA' ' A' ' 110' ' ' HEC . 23.0 m -104.0 -33.67 8.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.449 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 62.6 m80 -101.35 36.17 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -68.44 -39.17 81.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.0 -10.79 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.02 141.23 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -72.52 134.1 45.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.65 -36.72 69.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.44 -3.84 59.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.501 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 15.9 t0 -79.85 -33.53 40.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.522 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.7 m -105.16 -54.89 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 94.2 m-70 -76.73 59.41 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 28.6 p80 -45.56 148.64 1.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.587 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.17 7.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -101.55 111.04 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 61.88 14.36 6.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.32 0.23 55.78 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.5 151.41 19.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 0.731 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -174.23 104.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -145.72 48.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.843 ' CZ ' HMB3 ' A' ' 108' ' ' HEC . 7.4 m-30 50.03 100.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -135.58 145.34 46.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.674 ' O ' HMC3 ' A' ' 109' ' ' HEC . 0.0 OUTLIER -63.99 135.94 56.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.518 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.1 m -61.9 -53.32 57.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 108.313 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.87 52.61 3.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -94.07 133.35 37.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 110.421 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.78 103.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.11 -9.02 11.28 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.45 1.094 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -107.74 -101.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.493 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.4 m-70 -97.85 74.63 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.65 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.07 80.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.6 p -112.89 -33.06 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.041 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.59 35.89 15.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 58' ' ' LYS . 55.0 m-20 -109.04 -32.71 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.537 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER 67.17 -76.07 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.0 pttt -75.66 61.38 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -136.37 -58.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.5 OUTLIER 72.12 -142.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.1 OUTLIER 80.47 -64.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 61' ' ' SER . . . 175.2 -44.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -64.89 -12.81 53.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.68 98.05 1.14 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.153 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.31 -44.42 75.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.0 OUTLIER -74.59 -0.54 18.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.509 ' CE1' HG22 ' A' ' 74' ' ' THR . 0.6 OUTLIER -98.07 -19.33 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.612 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.663 HG12 ' C3A' ' A' ' 109' ' ' HEC . 3.8 m -98.14 9.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.9 mmt -118.15 -12.3 10.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.3 m80 -135.81 -63.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -38.03 125.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -29.64 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -70.76 60.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.509 HG22 ' CE1' ' A' ' 67' ' ' HIS . 44.8 p -125.88 153.84 43.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -64.88 -28.51 69.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 67.2 m-85 -110.07 156.85 20.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -65.59 122.59 17.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.66 159.64 14.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.7 m -45.87 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.969 ' O ' HG23 ' A' ' 84' ' ' VAL . 75.5 t -63.75 -35.5 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.8 -60.26 8.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.519 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.8 t -63.67 -44.97 92.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.49 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 11.7 m170 -52.95 -44.26 66.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 80' ' ' VAL . 53.0 t -55.46 -38.05 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -34.29 62.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 82' ' ' CYS . 68.2 t -72.39 -54.03 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.86 -31.1 72.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.63 -107.1 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.14 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.4 63.5 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.663 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 66.1 t0 -110.4 -21.86 11.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 90' ' ' ASP . . . 82.21 -72.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.99 -59.12 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 97' ' ' LEU . 6.2 mtmp? -65.93 -32.54 74.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -64.29 -11.72 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -121.84 -5.77 9.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.86 -9.76 13.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.572 ' O ' HMC1 ' A' ' 111' ' ' HEC . 18.1 mt -119.49 -40.48 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.586 ' HB ' HG13 ' A' ' 80' ' ' VAL . 18.6 p -119.75 19.07 12.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.34 155.24 49.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.665 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 0.9 OUTLIER -94.67 -39.19 10.45 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 137.78 31.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.4 tttp 73.87 40.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.97 -171.65 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.51 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 5.1 mmtm -74.46 -27.99 60.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.0 m -86.72 -67.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -96.35 147.05 24.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.572 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.647 ' OXT' ' HG3' ' A' ' 107' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.014 HBD1 HD11 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.756 HMB1 HBB3 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.051 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.814 HMD1 ' SD ' ' A' ' 11' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.64 5.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -88.99 172.03 9.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.95 151.18 93.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.02 172.25 16.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.548 1.814 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.7 171.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -94.27 157.72 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.24 30.28 17.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -74.69 93.65 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.903 ' HB2' HG22 ' A' ' 19' ' ' VAL . 6.7 tttp -95.99 123.14 39.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.72 ' HE2' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -109.6 109.01 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 8.0 tm-20 -108.97 68.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HB3' ' O1D' ' A' ' 111' ' ' HEC . . . -90.17 -17.57 27.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.419 HG23 ' CGD' ' A' ' 111' ' ' HEC . 7.7 p -126.55 179.28 5.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.45 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -64.45 -11.76 36.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.96 96.98 39.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 18.4 Cg_endo -74.95 164.05 34.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.828 HG21 ' C2D' ' A' ' 111' ' ' HEC . 63.6 t -142.37 152.05 18.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.903 HG22 ' HB2' ' A' ' 10' ' ' LYS . 41.5 t -119.36 114.17 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -107.78 138.63 43.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -119.25 113.87 21.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -64.85 -21.4 66.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.579 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.5 p -75.23 -3.53 33.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.462 HG21 HBA2 ' A' ' 110' ' ' HEC . 12.0 m -103.35 -33.63 9.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.442 ' CD2' HBC2 ' A' ' 108' ' ' HEC . 57.5 m80 -101.67 36.31 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -67.99 -38.19 82.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.4 p -73.17 -15.67 61.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.0 t -85.43 141.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -73.43 142.87 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.55 -31.77 73.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 108.318 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.31 -4.26 78.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 11.9 t0 -80.39 -34.43 36.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.586 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 2.9 m -105.43 -55.12 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.319 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -75.87 57.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.559 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 27.1 p80 -43.27 148.94 0.59 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.97 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.605 HG21 HBC2 ' A' ' 109' ' ' HEC . 39.8 t -87.83 -68.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -98.08 34.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.23 -0.18 87.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -118.42 148.71 42.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.75 78.03 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -75.77 127.07 32.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.513 ' HB3' ' C3A' ' A' ' 108' ' ' HEC . 18.7 m-85 -90.0 75.89 7.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.33 175.04 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HA ' HAD1 ' A' ' 108' ' ' HEC . 0.0 OUTLIER -73.54 128.2 34.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.85 -45.84 71.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 108.264 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.18 51.77 3.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.59 136.36 36.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.74 109.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.91 -16.37 13.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.563 1.165 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 95.2 m -104.38 -100.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.406 ' CE1' HG11 ' A' ' 68' ' ' VAL . 97.2 m-70 -100.06 71.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.557 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -133.4 77.91 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 t -106.01 -35.83 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.56 36.84 21.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -110.37 -45.81 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.28 -61.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 58.32 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' LYS . 18.3 t0 -172.06 56.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASP . 21.7 pttt -40.35 108.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.601 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -162.88 170.7 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.453 ' HB1' HAD1 ' A' ' 109' ' ' HEC . . . -52.96 -49.23 66.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -64.69 -20.4 66.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.73 92.04 0.27 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.435 1.084 . . . . 0.0 111.01 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -52.74 -39.11 61.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -78.45 -0.42 29.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -101.69 -14.6 17.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.658 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.7 m -101.87 8.48 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 80' ' ' VAL . 13.3 mmt -117.26 -14.04 10.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' ASP . 7.1 m80 -133.43 -62.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.586 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.547 ' OD2' ' ND2' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -38.72 125.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.87 -30.46 14.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 73' ' ' ASN . 3.7 p-10 -71.33 65.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.438 HG22 ' CE1' ' A' ' 67' ' ' HIS . 41.5 p -129.57 156.28 44.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -65.3 -27.23 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -114.22 156.8 23.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -64.02 126.35 27.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 p -99.04 155.86 17.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.404 ' SG ' ' SD ' ' A' ' 69' ' ' MET . 57.5 m -42.79 -66.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.002 ' O ' HG23 ' A' ' 84' ' ' VAL . 98.9 t -63.54 -37.42 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.94 -59.26 8.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.499 ' O ' HG23 ' A' ' 86' ' ' VAL . 43.9 t -63.56 -45.49 90.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.414 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 11.7 m170 -52.95 -44.22 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 80' ' ' VAL . 81.7 t -57.03 -37.53 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -33.87 62.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 82' ' ' CYS . 78.7 t -75.02 -54.07 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.4 -38.22 84.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 39.5 -130.85 2.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.34 59.35 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.762 . . . . 0.0 109.274 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.79 -17.92 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.645 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . 60.2 152.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 81.54 -51.86 0.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 97' ' ' LEU . 23.7 mtmt -69.02 -41.42 77.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -64.69 -10.6 28.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.84 -15.55 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -120.29 4.15 10.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.67 ' O ' HMC1 ' A' ' 111' ' ' HEC . 13.7 mt -123.22 -46.81 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.584 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 19.2 p -117.97 8.54 12.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.44 149.31 43.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.58 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 3.0 m -87.17 -58.15 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.09 135.73 54.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.78 49.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.39 -174.78 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.528 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 3.4 mmtt -75.3 -31.33 60.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 68.6 m -80.84 -62.02 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 108.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -101.94 145.55 29.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 109.602 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.95 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.746 HMB1 HBB3 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.05 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.828 ' C2D' HG21 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.511 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.99 -174.8 2.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 172.15 8.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.71 150.12 94.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.513 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -74.97 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.72 150.95 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.5 150.15 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.4 25.99 7.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.031 HD11 HBD1 ' A' ' 108' ' ' HEC . 1.1 tm? -74.68 104.3 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.773 . . . . 0.0 109.344 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.939 ' HB2' HG22 ' A' ' 19' ' ' VAL . 4.5 tttt -102.61 146.49 28.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.892 ' SD ' HMD1 ' A' ' 111' ' ' HEC . 1.7 ptp -124.14 104.65 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 1.6 tm-20 -104.52 67.54 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.29 -10.09 26.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.569 HG23 ' O1D' ' A' ' 111' ' ' HEC . 70.1 p -135.29 177.27 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -63.96 -14.9 57.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.42 ' O ' HBD2 ' A' ' 111' ' ' HEC . 1.5 mm100 -119.69 97.26 49.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 160.0 40.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.603 HG21 ' C1D' ' A' ' 111' ' ' HEC . 60.0 t -142.02 152.71 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.939 HG22 ' HB2' ' A' ' 10' ' ' LYS . 41.8 t -119.55 117.38 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -106.02 144.83 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -121.06 130.16 53.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -82.24 -26.37 33.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.622 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.4 p -74.47 -2.99 28.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -102.33 -32.04 10.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.457 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 64.2 m80 -103.29 37.18 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -68.92 -40.2 79.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 p -71.76 -9.29 58.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.6 t -91.83 142.39 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 135.39 44.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 m -58.56 -28.86 65.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.65 -3.54 89.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 14.1 t0 -79.51 -33.98 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.514 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 2.0 m -104.89 -54.49 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.79 56.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 21.3 p80 -41.76 148.34 0.46 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.632 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.98 132.19 15.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 70.7 t -118.88 112.98 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 10.8 t30 82.76 -0.32 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.18 -0.61 54.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.36 141.84 35.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.65 124.85 53.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -147.54 157.38 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.732 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 22.1 m-85 -97.09 97.69 9.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.08 170.63 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 135.36 36.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.442 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.2 m -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.29 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.76 52.42 3.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.2 133.52 38.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 0.726 . . . . 0.0 110.41 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.89 107.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.29 -12.45 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.9 m -105.62 -99.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.468 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.1 m-70 -100.23 81.12 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.65 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.04 81.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -112.21 -28.5 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.99 35.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' LYS . 12.2 t0 -108.3 -38.3 5.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER 69.11 -66.25 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -74.62 58.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.38 94.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 133.85 34.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.38 -69.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.488 ' HB1' HAD1 ' A' ' 109' ' ' HEC . . . -174.85 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -7.0 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.33 91.43 0.94 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.403 ' OH ' ' SD ' ' A' ' 11' ' ' MET . 69.0 t80 -50.84 -37.47 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -83.44 0.26 46.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.626 ' CE1' ' H2A' ' A' ' 109' ' ' HEC . 0.2 OUTLIER -104.2 -8.38 19.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.711 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.1 m -105.28 7.28 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.723 ' HG2' HMD2 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -121.85 -5.86 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.4 m80 -134.51 -62.51 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 70' ' ' HIS . 2.4 t70 -39.08 133.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HE3' HG21 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -104.69 -20.75 13.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -86.48 56.93 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.808 HG22 ' O2A' ' A' ' 109' ' ' HEC . 41.3 p -117.21 158.33 24.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -64.75 -26.01 68.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -117.78 157.07 27.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -62.69 122.35 15.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 2.9 p -95.86 157.78 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 50.0 m -44.92 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 108.284 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.815 ' O ' HG23 ' A' ' 84' ' ' VAL . 92.7 t -63.67 -36.55 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.42 -59.44 9.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.5 t -63.91 -45.21 90.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.5 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 12.6 m170 -53.0 -44.54 67.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.641 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 80' ' ' VAL . 49.7 t -57.6 -37.52 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.52 -33.7 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 82' ' ' CYS . 92.9 t -74.95 -54.07 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.463 ' CB ' ' HG2' ' A' ' 94' ' ' LYS . . . -67.58 -39.35 84.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.86 -127.56 1.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.69 60.33 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.76 -13.49 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . 59.59 154.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 79.02 -53.74 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 22.9 mttt -69.92 -37.59 75.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -63.83 -11.58 28.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.98 -8.59 14.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -118.36 1.23 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.694 ' O ' HMC1 ' A' ' 111' ' ' HEC . 19.9 mt -126.37 -45.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.62 ' HB ' HG13 ' A' ' 80' ' ' VAL . 16.4 p -116.44 13.03 15.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.61 153.09 47.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.615 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 1.4 m -90.24 -56.87 3.05 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.77 134.23 54.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.45 46.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.39 -173.71 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.462 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 14.4 mmtm -74.82 -30.69 61.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.3 m -83.01 -63.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -100.09 132.6 45.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.031 HBD1 HD11 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 1.016 ' CGD' HMD1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.031 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.892 HMD1 ' SD ' ' A' ' 11' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.84 15.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 179.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -94.09 168.87 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.96 22.32 59.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.07 102.03 4.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.668 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -112.13 153.87 26.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.19 113.81 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.2 tm-20 -108.19 67.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.16 -10.06 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 p -131.53 176.48 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -64.76 -11.77 40.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.35 99.44 36.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.54 37.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 74.2 t -143.03 153.92 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.668 HG22 ' CB ' ' A' ' 10' ' ' LYS . 45.9 t -120.8 114.53 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.565 ' HB3' HD13 ' A' ' 9' ' ' LEU . 63.0 t80 -100.61 165.03 11.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -144.84 138.5 27.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -93.88 -20.19 20.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.554 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -77.12 -3.03 37.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -105.17 -34.83 7.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -99.23 34.66 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.68 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -67.71 -35.82 79.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 p -76.5 -11.77 59.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 t -88.8 143.15 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 137.63 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 m -60.04 -33.09 71.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.8 -4.28 76.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -79.94 -33.4 39.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.45 -55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.281 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -76.4 56.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 27.0 p80 -41.97 148.67 0.46 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.578 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.499 0.19 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -124.17 176.26 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.33 134.14 33.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -56.72 -44.28 81.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.316 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.87 48.57 3.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -89.25 130.93 35.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.92 102.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.3 -7.82 10.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.7 m -108.74 -92.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.4 ' CE1' HG11 ' A' ' 68' ' ' VAL . 94.9 m-70 -107.11 74.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -135.75 76.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.8 p -107.98 -30.87 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -19.68 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.66 93.31 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -53.25 -40.98 65.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -78.47 0.25 26.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.566 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.3 t60 -99.38 -30.73 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 67' ' ' HIS . 3.5 m -87.03 8.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.2 mmt -117.69 -13.36 10.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 12.6 m80 -132.91 -60.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.588 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 2.1 t70 -39.0 132.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.81 -29.55 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -76.41 60.52 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.566 HG22 ' CE1' ' A' ' 67' ' ' HIS . 37.6 p -122.24 157.39 31.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -64.71 -24.6 67.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -118.54 157.92 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -65.24 125.36 24.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.78 162.19 13.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.6 m -49.05 -66.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.943 ' O ' HG23 ' A' ' 84' ' ' VAL . 74.6 t -63.64 -35.6 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.49 -59.82 8.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.3 t -63.69 -45.19 91.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.5 m170 -52.86 -44.33 66.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.943 HG23 ' O ' ' A' ' 80' ' ' VAL . 67.9 t -56.98 -37.67 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -34.12 62.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 82' ' ' CYS . 72.3 t -74.03 -53.7 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 97' ' ' LEU . 11.1 mttm . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' CG ' ' OG1' ' A' ' 98' ' ' THR . 1.6 ttpp -64.77 -10.3 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -14.9 20.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.531 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -122.7 5.07 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 96' ' ' ASP . 13.5 mt -123.24 -44.75 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.526 ' HB ' HG13 ' A' ' 80' ' ' VAL . 19.2 p -119.56 6.09 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.14 144.76 48.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.4 m -81.29 -51.99 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -124.63 140.06 53.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mttt 72.15 46.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.55 -173.58 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 2.8 mmtt -75.08 -29.34 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.6 m -85.15 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.291 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -95.05 132.74 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.597 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 166.2 29.72 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.27 -170.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -101.68 169.22 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.76 21.79 65.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.759 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.91 105.56 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.647 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -114.89 150.88 34.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.64 114.24 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 1.5 tm-20 -108.63 67.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.82 -11.66 23.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -129.37 176.27 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -64.9 -11.69 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.19 99.2 37.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.85 40.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 73.9 t -140.9 152.42 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.647 HG22 ' CB ' ' A' ' 10' ' ' LYS . 49.8 t -117.29 118.48 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 9' ' ' LEU . 57.6 t80 -107.55 163.26 13.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -141.62 147.38 37.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -101.05 -21.8 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.539 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.71 -4.84 45.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.7 m -102.37 -31.99 10.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -101.78 35.94 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -67.86 -40.73 83.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.7 p -71.41 -13.45 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.8 t -87.4 140.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 139.76 50.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.0 m -62.92 -27.94 69.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 108.297 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.95 -1.12 90.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -82.4 -31.89 29.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.9 -55.43 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 108.269 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -75.38 57.2 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -41.21 148.69 0.39 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.622 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.506 0.193 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -121.89 173.44 7.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 132.22 37.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -57.59 -47.55 81.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.347 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.88 51.5 3.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.9 131.58 42.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.435 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.69 108.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.82 -13.55 13.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m -105.53 -90.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.429 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.4 m-70 -109.55 70.8 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -133.01 75.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.7 t -108.2 -25.82 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -70.73 -7.38 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.45 91.73 0.76 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -51.2 -42.14 60.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -78.53 -0.64 30.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.506 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.9 t60 -99.28 -26.75 14.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.635 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.429 HG11 ' CE1' ' A' ' 52' ' ' HIS . 2.8 m -90.74 8.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.413 ' O ' HG23 ' A' ' 80' ' ' VAL . 9.2 mmt -118.06 -13.02 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 14.2 m80 -132.49 -61.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.564 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.9 t70 -38.87 132.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -27.97 12.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -76.73 61.18 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.506 HG22 ' CE1' ' A' ' 67' ' ' HIS . 42.7 p -123.32 157.37 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -64.75 -25.32 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -117.94 157.04 27.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.75 125.75 25.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 p -99.35 157.61 16.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.6 m -43.9 -66.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 108.283 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.904 ' O ' HG23 ' A' ' 84' ' ' VAL . 88.9 t -63.46 -35.6 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.7 -59.93 8.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.45 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.9 t -63.76 -45.53 89.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.0 m170 -52.56 -44.07 65.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.617 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 80' ' ' VAL . 56.0 t -56.69 -37.78 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -33.58 63.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 82' ' ' CYS . 89.4 t -74.19 -51.23 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.465 ' CB ' ' HG3' ' A' ' 94' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' A' ' 97' ' ' LEU . 3.4 mmtm . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -63.91 -11.08 24.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.24 -8.51 14.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.546 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -120.95 2.91 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 93' ' ' LYS . 15.8 mt -125.19 -46.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.56 ' HB ' HG13 ' A' ' 80' ' ' VAL . 19.2 p -114.84 7.75 15.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.5 148.86 46.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.8 m -84.75 -57.44 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.14 139.51 53.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 74.09 42.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -174.08 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -74.99 -29.91 61.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 52.4 m -83.25 -66.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -94.14 142.94 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.01 34.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.96 -172.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -100.08 159.77 14.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.76 26.34 29.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.714 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.92 96.8 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.985 ' HB2' HG22 ' A' ' 19' ' ' VAL . 2.9 tttt -101.73 142.02 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.74 112.18 17.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 10.0 tm-20 -108.84 68.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.0 -9.02 26.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 p -131.9 176.86 8.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -64.62 -11.63 37.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -126.42 101.21 28.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.63 36.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 67.4 t -143.16 152.86 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.985 HG22 ' HB2' ' A' ' 10' ' ' LYS . 43.9 t -118.63 113.8 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -103.52 163.98 11.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -141.44 141.68 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.271 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -95.88 -19.7 19.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.6 -1.7 35.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -105.64 -36.28 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -97.55 33.45 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -41.52 92.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.2 p -70.01 -15.75 63.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -85.23 141.08 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 139.1 49.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.6 m -62.36 -27.4 69.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.06 -1.37 90.3 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -82.77 -32.35 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -105.04 -55.74 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.51 57.26 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -40.43 148.65 0.34 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.627 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.486 0.184 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.4 174.7 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 132.99 35.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.3 -49.23 77.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.306 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.76 51.49 3.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.73 131.83 41.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.83 108.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.11 -13.79 12.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.6 m -105.51 -91.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -109.0 69.66 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -130.53 76.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -105.41 -35.07 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -10.99 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.16 96.95 1.01 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.75 -44.23 73.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -75.75 0.16 18.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.481 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.6 t60 -99.26 -21.87 15.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -96.87 8.9 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.478 ' O ' HG23 ' A' ' 80' ' ' VAL . 12.1 mmt -117.42 -14.51 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 7.9 m80 -132.6 -63.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.637 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -37.84 132.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.657 ' HD3' HG21 ' A' ' 84' ' ' VAL . 19.9 mttp -99.49 -32.74 10.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -69.47 65.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' LYS . 58.4 p -129.88 153.34 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -64.7 -25.44 67.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -115.91 155.71 27.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -64.06 126.29 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.63 161.71 13.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.4 m -47.86 -66.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.985 ' O ' HG23 ' A' ' 84' ' ' VAL . 98.0 t -63.56 -37.84 80.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.91 -59.22 8.3 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.483 ' O ' HG23 ' A' ' 86' ' ' VAL . 45.0 t -63.72 -45.85 88.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.2 m170 -52.62 -44.09 65.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.633 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.1 t -56.31 -38.51 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -33.82 62.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 82' ' ' CYS . 85.1 t -73.23 -52.47 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.357 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 90.0 mttt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -9.38 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.64 -10.53 12.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.437 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -114.46 -3.5 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 93' ' ' LYS . 17.9 mt -121.9 -46.68 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.508 ' HB ' HG13 ' A' ' 80' ' ' VAL . 19.4 p -115.03 15.1 17.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.16 152.56 46.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.35 -50.38 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.11 139.73 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp 70.91 45.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.6 -172.63 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -74.4 -30.75 62.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.8 m -83.42 -63.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -97.96 141.1 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.597 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 173.32 14.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 159.06 15.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -77.42 163.08 26.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.21 25.24 34.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.754 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.96 98.25 3.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 1.011 ' HB2' HG22 ' A' ' 19' ' ' VAL . 2.1 ttpm? -103.61 143.74 32.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.21 103.92 9.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 1.6 tm-20 -102.21 65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.22 -10.39 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -132.67 176.58 8.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.32 -14.36 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -119.53 98.56 50.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.8 42.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 67.0 t -139.91 145.56 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.011 HG22 ' HB2' ' A' ' 10' ' ' LYS . 47.4 t -111.85 117.65 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.484 ' HB3' HD13 ' A' ' 9' ' ' LEU . 86.4 t80 -106.39 149.5 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -127.16 137.86 53.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -91.49 -27.05 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 m -74.23 -3.06 27.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.0 m -102.83 -30.85 10.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.444 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -102.49 34.92 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.608 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -65.1 -43.29 92.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.2 p -69.17 -8.04 41.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.2 140.43 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.04 142.03 45.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -63.06 -30.93 71.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 108.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.74 -3.83 84.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -80.89 -31.63 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 m -107.65 -55.07 2.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.33 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -76.33 56.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.571 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.1 p80 -41.68 148.54 0.44 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.568 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.492 0.187 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.08 174.64 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.31 131.46 35.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.5 m -56.95 -46.46 82.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.25 49.03 3.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -93.82 132.83 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.421 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.71 111.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.86 -16.11 18.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.3 m -103.8 -91.61 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -109.07 74.1 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.643 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -135.75 75.76 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 t -107.1 -32.38 7.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -65.09 -22.9 67.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.49 94.27 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -54.72 -41.86 70.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.5 t80 -76.97 -0.0 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.466 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.0 t60 -100.25 -18.76 16.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.59 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -99.34 8.82 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 80' ' ' VAL . 9.0 mmt -117.45 -13.15 10.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.9 m80 -133.51 -63.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -38.54 132.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.25 -32.31 10.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -71.41 67.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.447 HG22 ' CE1' ' A' ' 67' ' ' HIS . 45.8 p -130.45 156.27 45.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -64.97 -24.27 67.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -118.96 156.7 29.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -64.01 127.02 29.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 p -99.32 156.91 16.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.7 m -43.36 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 108.282 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.996 ' O ' HG23 ' A' ' 84' ' ' VAL . 97.4 t -63.34 -37.61 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.67 -59.96 7.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.582 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.9 t -63.49 -44.91 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.5 m170 -52.79 -44.07 66.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 80' ' ' VAL . 83.2 t -55.92 -41.98 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 -34.45 62.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 82' ' ' CYS . 85.5 t -70.34 -52.04 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.551 ' O ' ' N ' ' A' ' 97' ' ' LEU . 20.5 mttt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' O ' ' OG1' ' A' ' 98' ' ' THR . 18.4 tttm -66.91 -8.57 30.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -119.53 -8.46 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.232 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.1 -22.08 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 93' ' ' LYS . 19.8 mt -108.01 -47.56 3.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 29.9 p -108.43 16.76 22.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.89 147.68 50.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 9.9 m -85.92 -62.2 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -119.79 139.04 52.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 71.6 49.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.16 -171.22 2.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -74.68 -27.98 60.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 70.8 m -86.07 -63.63 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 108.292 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -96.69 130.1 43.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.58 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 165.1 32.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.69 -177.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.94 169.54 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.15 21.7 62.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.755 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.91 101.95 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 0.728 . . . . 0.0 109.36 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.657 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -112.0 148.23 34.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.1 114.58 21.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 6.1 tm-20 -110.02 68.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.07 -12.19 22.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.7 p -130.47 176.12 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -65.08 -10.95 34.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.39 95.85 44.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.96 34.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 89.1 t -145.68 153.55 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.657 HG22 ' CB ' ' A' ' 10' ' ' LYS . 50.5 t -117.63 114.53 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.603 ' HB3' HD13 ' A' ' 9' ' ' LEU . 52.7 t80 -99.8 163.85 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -144.67 136.65 25.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -92.69 -18.08 23.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.569 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.436 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 3.7 t -79.37 -2.23 40.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 m -106.15 -35.3 7.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -98.71 34.11 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.436 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 11.0 mtpt -67.97 -36.04 79.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.8 p -74.92 -13.81 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.1 t -87.9 142.96 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.74 139.81 47.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.1 m -62.32 -27.69 69.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.88 -1.2 90.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -84.37 -25.03 29.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.41 -55.37 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -76.64 55.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 27.0 p80 -40.36 148.61 0.33 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.5 0.19 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.09 174.46 6.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.76 135.03 35.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.45 -49.64 76.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 108.324 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.66 51.67 3.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.74 131.87 41.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.92 107.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.14 -14.01 11.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.3 m -106.15 -93.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -105.95 68.94 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -130.26 75.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 t -110.78 -24.18 10.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -70.64 -7.35 43.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.64 91.92 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -50.31 -41.08 50.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.5 t80 -79.38 0.08 30.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.457 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.2 t60 -101.28 -15.04 17.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.5 m -103.47 7.93 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.245 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.3 mmt -115.78 -16.53 11.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 71' ' ' ASP . 5.8 m80 -132.62 -62.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.555 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -38.94 119.88 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.697 ' HD3' HG21 ' A' ' 84' ' ' VAL . 3.7 mttp -85.57 -38.97 17.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.19 79.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 72' ' ' LYS . 40.6 p -143.5 155.62 44.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -24.14 67.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -118.85 158.61 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -66.3 128.09 34.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 p -97.17 161.19 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 59.0 m -48.66 -66.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.999 ' O ' HG23 ' A' ' 84' ' ' VAL . 77.1 t -63.82 -36.88 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.26 -58.75 9.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.46 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.7 t -63.49 -45.16 92.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.7 m170 -52.61 -44.15 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 80' ' ' VAL . 93.5 t -55.89 -37.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -34.33 62.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 82' ' ' CYS . 90.3 t -73.29 -53.65 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 97' ' ' LEU . 5.7 mttp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -64.21 -10.2 21.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.91 -7.14 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.531 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -118.28 -0.05 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 93' ' ' LYS . 16.0 mt -125.31 -49.19 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.533 ' HB ' HG13 ' A' ' 80' ' ' VAL . 17.9 p -110.86 10.81 22.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.09 150.11 46.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.6 m -88.77 -49.43 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -128.5 137.89 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 72.53 45.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.32 -172.49 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -74.43 -29.77 61.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 57.0 m -85.94 -67.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 108.346 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -94.79 128.43 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.573 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.34 22.84 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.82 175.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.04 169.84 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.99 26.43 58.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.09 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.717 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.48 99.85 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.986 ' HB2' HG22 ' A' ' 19' ' ' VAL . 1.3 ttmp? -105.61 143.56 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.72 111.89 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.9 tm-20 -107.64 67.62 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.71 -11.57 24.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.8 p -129.72 176.98 7.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -64.45 -11.64 35.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -125.85 102.21 28.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 159.92 40.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 55.0 t -140.97 148.57 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.986 HG22 ' HB2' ' A' ' 10' ' ' LYS . 48.5 t -114.54 117.44 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -107.09 161.41 14.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -139.33 141.42 37.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -96.03 -18.77 19.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -79.81 -1.33 38.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.957 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -106.07 -37.3 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -96.68 33.06 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -65.28 -38.54 90.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -11.98 60.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.955 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.5 140.19 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -71.26 139.3 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 m -61.74 -31.61 71.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.57 -4.27 80.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.09 -34.92 43.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.4 m -104.9 -54.84 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.61 56.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.621 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -43.38 149.33 0.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.557 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.526 0.203 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -157.33 177.49 11.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.1 130.8 34.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -57.74 -46.06 84.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.332 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.62 51.9 3.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -94.65 131.78 40.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.384 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.82 105.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.32 -11.04 10.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.22 -93.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -105.86 66.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.69 74.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.1 p -102.02 -34.01 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -65.06 -15.52 62.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.87 91.98 0.28 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -51.02 -39.47 55.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -80.38 -1.04 39.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -100.43 -14.29 18.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.602 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 m -104.13 8.71 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.0 mmt -118.44 -9.04 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' ASP . 8.7 m80 -137.37 -62.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -37.58 126.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 -29.13 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -76.25 65.99 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 p -127.89 158.02 38.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -64.64 -24.67 67.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -121.16 154.65 35.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -62.26 126.29 26.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.31 161.32 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 59.8 m -45.24 -65.14 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.573 HG13 ' HB ' ' A' ' 98' ' ' THR . 77.9 t -63.43 -49.39 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -39.78 -58.21 2.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.443 ' O ' HG23 ' A' ' 86' ' ' VAL . 38.3 t -63.13 -47.81 81.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.457 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 15.1 m170 -51.71 -44.05 63.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.651 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 80' ' ' VAL . 55.8 t -55.37 -39.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -34.33 61.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 82' ' ' CYS . 98.7 t -72.17 -51.62 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 97' ' ' LEU . 28.9 mtmt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -10.4 25.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -7.96 10.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 0.9 OUTLIER -115.34 -3.99 12.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.555 ' N ' ' O ' ' A' ' 93' ' ' LYS . 26.9 mt -124.24 -47.93 1.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.573 ' HB ' HG13 ' A' ' 80' ' ' VAL . 12.2 p -112.31 15.04 20.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.03 163.86 10.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -104.91 -41.21 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -138.16 140.0 39.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.7 40.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -172.07 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 12.4 mmtm -74.51 -29.8 61.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.5 m -84.85 -64.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 108.31 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -95.68 124.67 39.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 174.66 12.41 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.55 159.94 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -80.94 173.13 12.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.1 29.22 62.91 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.712 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.8 98.25 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.991 ' HB2' HG22 ' A' ' 19' ' ' VAL . 2.0 ttpt -101.94 142.37 33.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.17 107.3 11.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 9.6 tm-20 -105.52 66.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.53 -13.03 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.2 p -132.02 178.04 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -15.55 60.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -119.33 96.39 49.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.33 41.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 68.8 t -139.6 153.51 23.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.991 HG22 ' HB2' ' A' ' 10' ' ' LYS . 40.5 t -119.72 115.61 48.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -107.51 137.99 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -120.79 117.38 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -67.05 -24.3 65.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.411 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -71.86 -5.04 31.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.0 m -103.64 -32.93 9.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -102.13 36.08 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 18.5 mtpt -68.86 -39.2 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.6 p -70.86 -14.61 62.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -88.12 143.0 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 145.27 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -65.48 -32.12 73.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.66 -4.69 76.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -80.65 -35.17 34.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.2 m -104.88 -55.39 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -77.08 66.66 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 32.6 p80 -55.91 148.31 38.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.654 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.461 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 1.8 m-85 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.465 0.174 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 168.37 17.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.48 133.74 38.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.88 -52.02 66.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.56 53.02 2.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -98.01 132.71 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.398 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.65 111.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.29 -16.98 17.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.53 -94.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.407 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.6 m-70 -105.19 69.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.61 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -129.4 76.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -111.06 -22.11 11.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -64.53 -19.45 65.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.57 90.01 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.402 ' O ' ' SD ' ' A' ' 69' ' ' MET . 56.3 t80 -50.43 -37.52 38.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 3.5 t80 -80.11 1.83 26.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -107.8 -2.81 19.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.558 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.407 HG11 ' CE1' ' A' ' 52' ' ' HIS . 1.5 m -112.05 5.64 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.485 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -120.17 -7.74 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 71' ' ' ASP . 23.3 m80 -132.49 -63.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.62 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' HIS . 1.6 t70 -38.65 142.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.739 ' HE2' HG21 ' A' ' 84' ' ' VAL . 20.5 mttt -110.09 -27.89 8.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -77.92 61.04 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.1 p -123.24 154.74 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.19 -26.15 68.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 77.8 m-85 -115.44 155.83 26.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -63.53 123.47 18.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.1 160.17 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.9 m -49.45 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 108.328 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.998 ' O ' HG23 ' A' ' 84' ' ' VAL . 90.5 t -63.52 -36.98 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.41 -59.73 8.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.507 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.7 t -63.29 -44.95 93.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.6 m170 -53.02 -44.52 67.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 80' ' ' VAL . 80.9 t -56.88 -37.22 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -34.06 62.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 82' ' ' CYS . 99.6 t -73.5 -53.75 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' LEU . 2.2 mttp . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -67.99 -9.12 43.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -125.01 -5.05 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.89 -23.0 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 93' ' ' LYS . 43.6 mt -109.27 -30.29 8.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 21.1 p -127.55 21.36 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.453 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.18 144.48 34.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.8 m -83.43 -52.48 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -126.97 132.85 50.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 77.07 51.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.68 -173.6 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -74.62 -30.06 61.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 85.7 m -83.66 -63.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -102.12 145.34 29.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 165.13 31.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.571 1.827 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.59 162.99 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -81.99 164.23 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.21 25.28 34.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.855 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -75.17 92.1 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.943 ' HB2' HG22 ' A' ' 19' ' ' VAL . 10.5 tttm -92.39 146.11 23.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.15 104.03 6.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 1.7 tm-20 -103.95 65.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.67 -15.51 42.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 p -127.94 179.88 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -64.54 -11.44 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.78 101.77 39.13 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.86 38.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 59.4 t -144.63 152.46 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.943 HG22 ' HB2' ' A' ' 10' ' ' LYS . 51.1 t -123.38 113.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.636 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 59.3 t80 -100.1 173.85 6.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -147.11 139.83 24.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -96.29 -14.05 22.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.59 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 p -85.24 -4.51 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 m -103.79 -32.99 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.636 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 60.5 m80 -100.13 34.87 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.609 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -68.07 -36.67 80.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -12.57 60.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 t -87.36 141.37 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.0 133.77 45.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 m -57.14 -30.87 64.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 108.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.63 -4.06 87.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -79.25 -30.25 43.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.48 -53.95 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 108.315 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -78.23 54.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -42.11 149.45 0.43 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.632 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.973 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.496 0.189 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 172.18 8.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.69 136.32 35.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.66 -50.43 73.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 108.298 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.48 51.61 3.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -94.55 131.77 39.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 110.436 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.73 105.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.01 -10.51 11.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m -108.77 -94.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.431 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.0 m-70 -105.02 68.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.559 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -131.27 74.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.4 p -113.35 -34.62 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -65.32 -16.67 63.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.05 93.59 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -53.15 -39.87 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.747 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -81.26 1.06 34.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.511 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.4 t60 -100.54 -24.03 14.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' A' ' 52' ' ' HIS . 3.0 m -94.31 8.64 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.9 mmt -118.18 -12.44 10.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.2 m80 -134.54 -62.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.625 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.8 OUTLIER -37.93 119.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -26.1 20.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -79.62 71.1 6.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.511 HG22 ' CE1' ' A' ' 67' ' ' HIS . 40.6 p -132.89 159.01 41.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -65.45 -25.65 67.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -118.59 156.95 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -63.61 127.16 30.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 p -98.48 160.95 13.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.4 m -47.38 -67.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 108.326 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.994 ' O ' HG23 ' A' ' 84' ' ' VAL . 72.2 t -63.9 -35.21 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.78 -58.99 9.86 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.501 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.9 t -63.78 -44.39 93.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 13.6 m170 -53.14 -44.49 67.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.994 HG23 ' O ' ' A' ' 80' ' ' VAL . 76.3 t -56.76 -37.42 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -33.89 62.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 82' ' ' CYS . 83.6 t -74.71 -55.35 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 97' ' ' LEU . 16.2 mmtt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.449 ' CG ' ' OG1' ' A' ' 98' ' ' THR . 8.3 ttpt -64.34 -10.77 26.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.82 -14.8 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -121.13 4.52 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 93' ' ' LYS . 14.4 mt -123.8 -47.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.449 ' OG1' ' CG ' ' A' ' 94' ' ' LYS . 22.4 p -115.54 6.84 14.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.29 141.43 46.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 15.4 m -78.78 -49.81 12.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -124.65 142.73 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt 67.92 48.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 p -122.19 -175.16 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 4.0 mmtt -74.84 -28.24 60.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.9 m -85.44 -69.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.287 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -92.83 139.23 30.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.549 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.25 23.02 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.56 177.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.68 173.06 7.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.96 23.69 68.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.32 100.6 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.664 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -109.82 153.74 23.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.23 116.98 19.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 4.8 tm-20 -110.42 67.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.1 -14.59 22.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 p -126.57 177.35 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -65.27 -11.25 39.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.95 100.84 33.08 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.31 39.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.564 1.823 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 82.8 t -141.87 154.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.664 HG22 ' CB ' ' A' ' 10' ' ' LYS . 47.7 t -120.32 114.76 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.558 ' HB3' HD13 ' A' ' 9' ' ' LEU . 62.1 t80 -101.41 163.36 12.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -142.97 139.25 30.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.307 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -94.96 -20.74 19.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.44 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -76.79 -1.23 27.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.039 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 m -106.33 -36.7 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.398 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -97.38 33.49 1.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.44 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 19.7 mtpt -66.95 -36.56 82.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.6 p -74.85 -15.27 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -86.6 143.56 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.32 139.59 46.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 m -62.09 -29.63 70.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 108.368 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.15 -2.79 87.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.11 -33.57 33.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.2 m -105.06 -55.72 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 108.298 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.49 58.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.7 p80 -42.66 149.01 0.5 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.589 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.502 0.191 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -123.28 174.91 7.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 134.4 34.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.59 -48.2 81.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.35 51.08 3.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.58 132.05 41.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.756 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.64 109.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.41 -13.68 15.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.1 m -104.85 -91.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -109.17 69.8 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -131.88 76.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 t -106.78 -28.37 10.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -72.39 -6.11 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.65 93.66 1.26 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -51.97 -41.06 61.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 0.807 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -79.93 -0.48 35.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.4 t60 -99.32 -22.48 15.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 m -96.05 9.4 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.5 mmt -118.58 -11.89 9.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 71' ' ' ASP . 6.9 m80 -136.25 -63.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -36.38 134.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.685 ' HD2' HG21 ' A' ' 84' ' ' VAL . 1.1 mtpm? -94.17 -43.57 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.93 82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' LYS . 64.1 p -145.03 149.75 35.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -22.55 67.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 60.0 m-85 -119.17 157.82 27.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -67.07 128.23 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.99 162.09 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.6 m -48.79 -66.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 108.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.947 ' O ' HG23 ' A' ' 84' ' ' VAL . 70.6 t -63.65 -36.36 76.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.22 -59.3 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.511 ' O ' HG23 ' A' ' 86' ' ' VAL . 48.1 t -63.43 -45.69 89.76 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -52.92 -44.06 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.591 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.0 t -57.1 -37.58 56.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -34.27 61.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 82' ' ' CYS . 94.5 t -73.5 -53.98 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 97' ' ' LEU . 2.8 mmtp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -9.5 18.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -19.31 15.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.455 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -113.74 1.39 14.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 93' ' ' LYS . 13.3 mt -122.89 -52.35 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.473 ' HB ' HG13 ' A' ' 80' ' ' VAL . 21.3 p -109.88 10.84 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.07 147.54 50.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.3 m -84.12 -39.38 19.55 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -136.63 149.35 47.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.01 37.57 9.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.12 -172.57 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -74.6 -28.52 60.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 11.5 m -89.28 -66.99 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -94.7 146.58 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.83 8.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.86 -179.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.99 169.12 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.09 26.14 56.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.731 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.49 98.87 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 1.015 ' HB2' HG22 ' A' ' 19' ' ' VAL . 3.2 ttpt -104.99 145.89 29.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.16 103.75 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.3 tm-20 -101.92 65.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.28 -13.35 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.0 p -131.67 177.32 7.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -63.9 -14.91 57.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.27 97.69 50.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.27 42.41 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.556 1.819 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 61.7 t -141.5 146.34 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.015 HG22 ' HB2' ' A' ' 10' ' ' LYS . 46.0 t -113.14 115.42 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.534 ' HB3' HD13 ' A' ' 9' ' ' LEU . 81.8 t80 -104.9 162.81 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -141.42 145.78 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -97.53 -24.96 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.597 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 m -73.0 -4.32 31.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.7 m -104.05 -32.66 9.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.423 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -101.44 35.23 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -67.79 -43.76 78.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.1 p -66.95 -14.07 62.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -87.87 142.79 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -75.04 141.83 43.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.98 -32.9 74.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.358 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.56 -2.85 76.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.62 -31.98 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -106.49 -56.16 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.246 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -76.14 59.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -44.28 149.38 0.73 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.965 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.454 0.169 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 172.36 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.07 135.6 33.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.6 m -57.22 -49.94 74.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.24 51.9 3.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -93.25 131.81 38.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.11 103.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.97 -8.37 10.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.5 m -109.3 -95.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -103.53 74.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.605 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -132.2 79.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.1 p -108.63 -27.35 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -64.98 -19.91 66.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.16 88.65 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.25 -36.93 44.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.1 t80 -80.64 -2.88 48.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.0 OUTLIER -99.55 -18.37 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.565 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -97.48 9.2 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.481 ' O ' HG23 ' A' ' 80' ' ' VAL . 11.4 mmt -119.79 -8.83 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.0 m80 -136.7 -62.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.7 t70 -38.49 140.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.769 ' HD3' HG21 ' A' ' 84' ' ' VAL . 7.8 mttm -105.78 -33.99 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -69.01 66.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LYS . 63.0 p -130.63 152.06 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -64.37 -26.32 68.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -114.46 155.97 25.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 126.17 27.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 p -98.83 155.68 17.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.5 m -42.69 -66.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.331 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.986 ' O ' HG23 ' A' ' 84' ' ' VAL . 92.7 t -63.46 -37.84 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.94 -59.77 7.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.519 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.6 t -63.61 -45.01 92.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.5 m170 -53.06 -44.54 67.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.58 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 80' ' ' VAL . 72.5 t -56.15 -36.37 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -34.12 59.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 82' ' ' CYS . 59.3 t -74.53 -54.25 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -1.39 20.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.01 -4.12 10.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.62 -40.12 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.5 mt -87.87 -30.84 19.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.414 ' HB ' HG13 ' A' ' 80' ' ' VAL . 23.5 p -128.18 14.28 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.6 152.68 51.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.65 -56.33 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 139.81 53.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 69.48 47.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.7 -172.46 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -74.86 -30.21 61.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 82.3 m -84.02 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -96.74 143.07 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 167.01 27.94 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.779 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.83 -179.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.72 178.72 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.15 26.65 73.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.621 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -74.89 97.4 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.945 ' HB2' HG22 ' A' ' 19' ' ' VAL . 13.0 ttpp -101.48 144.58 30.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.4 ptp -120.79 106.35 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 4.1 tm-20 -105.03 68.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.87 -11.42 21.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -132.22 176.5 8.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -64.07 -14.19 52.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.78 97.97 48.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 161.98 37.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 69.5 t -144.06 153.08 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.945 HG22 ' HB2' ' A' ' 10' ' ' LYS . 53.3 t -117.72 117.58 55.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -106.9 165.1 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -141.16 148.9 40.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -102.31 -18.69 15.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.552 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -80.62 -3.53 50.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.0 m -102.68 -33.02 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -100.88 35.68 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.537 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -67.06 -43.26 83.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.4 p -69.13 -12.84 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.7 t -87.29 139.49 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.61 134.5 46.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 m -57.46 -29.21 64.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.43 -4.0 88.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -79.49 -33.5 42.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 0.798 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.84 -55.12 2.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' HIS . 94.2 m-70 -76.15 56.81 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 20.6 p80 -39.64 148.07 0.31 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.562 0.22 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.06 -179.37 3.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.41 1.069 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -81.81 135.92 35.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 m -60.93 -48.85 79.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.284 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.25 52.84 2.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.15 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -96.73 132.72 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.85 108.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.81 -13.35 13.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.1 m -105.29 -95.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.438 ' CE1' HG11 ' A' ' 68' ' ' VAL . 95.9 m-70 -103.78 68.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.619 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -131.23 77.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.6 p -112.17 -26.15 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -64.97 -12.13 46.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -68.73 92.55 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -53.39 -37.11 62.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -86.02 0.79 52.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.534 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.1 t60 -99.41 -28.77 13.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.438 HG11 ' CE1' ' A' ' 52' ' ' HIS . 3.2 m -88.26 9.74 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.9 mmt -118.96 -12.21 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.3 m80 -135.11 -60.74 0.76 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.3 t70 -37.84 128.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.786 ' HD3' HG21 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -99.47 -27.06 13.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -77.95 63.06 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.534 HG22 ' CE1' ' A' ' 67' ' ' HIS . 42.6 p -125.95 156.26 40.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.441 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -64.95 -24.57 67.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -117.28 158.78 23.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -66.26 124.36 22.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 p -96.64 157.67 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 57.3 m -43.55 -67.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 108.252 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.008 ' O ' HG23 ' A' ' 84' ' ' VAL . 96.1 t -63.8 -39.05 84.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.71 -58.93 7.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.466 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.5 t -63.42 -45.26 91.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 12.7 m170 -52.77 -43.79 66.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.536 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.008 HG23 ' O ' ' A' ' 80' ' ' VAL . 90.1 t -56.65 -37.57 53.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -34.23 62.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 82' ' ' CYS . 66.0 t -75.1 -55.66 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 97' ' ' LEU . 33.5 mttt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -10.94 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.47 -14.14 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.528 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -122.77 5.31 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 96' ' ' ASP . 13.3 mt -123.53 -45.39 2.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.584 ' HB ' HG13 ' A' ' 80' ' ' VAL . 15.5 p -120.13 6.86 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.89 151.75 29.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.25 -44.95 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -129.28 140.46 51.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.93 50.04 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.27 -174.77 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 1.5 mmmt -75.3 -30.06 60.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.2 m -83.5 -65.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 108.295 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -95.59 133.17 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 161.87 37.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.18 -170.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -101.9 169.85 8.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.75 11.17 66.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.797 HD13 ' O ' ' A' ' 9' ' ' LEU . 1.6 tm? -74.68 96.16 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.962 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -107.36 159.72 16.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.38 131.61 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.1 tm-20 -128.87 63.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.35 -17.28 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 p -127.68 177.64 6.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -70.47 -6.51 36.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.14 89.65 47.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.447 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 175.88 10.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 79.6 t -155.21 146.66 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.962 HG22 ' HB3' ' A' ' 10' ' ' LYS . 76.7 t -105.77 116.24 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -99.82 172.71 7.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -151.23 144.82 24.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -99.79 -22.51 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.567 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.8 -3.06 32.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 m -104.67 -34.12 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.366 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -100.06 34.91 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.616 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -66.95 -44.44 80.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.8 p -67.07 -15.86 63.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 t -85.02 141.03 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.24 139.13 47.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -61.51 -34.33 75.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.82 -2.18 69.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -82.01 -32.38 30.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -105.51 -55.23 2.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -76.26 61.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -47.26 149.19 1.87 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.579 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.478 0.18 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.62 176.42 6.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.76 134.77 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -58.17 -49.57 76.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.09 51.54 3.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -93.25 131.4 38.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.359 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.68 103.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.89 -8.6 10.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.7 m -108.49 -94.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -105.35 75.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.625 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -134.25 76.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.54 -40.33 6.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -64.96 -21.13 66.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.06 98.57 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -58.24 -40.3 81.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 0.733 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -77.92 -1.42 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.3 t60 -98.92 -23.4 15.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -94.59 8.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.492 ' O ' HG23 ' A' ' 80' ' ' VAL . 11.8 mmt -117.81 -13.55 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' ASP . 14.7 m80 -131.61 -63.02 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.3 t70 -38.53 139.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.573 ' HD3' HG21 ' A' ' 84' ' ' VAL . 27.1 mttp -106.92 -33.87 7.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -69.79 63.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.5 p -125.96 154.79 42.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -25.49 68.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -117.14 156.19 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 126.2 26.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.7 p -99.39 158.24 15.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.5 m -44.68 -66.96 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 108.274 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.938 ' O ' HG23 ' A' ' 84' ' ' VAL . 96.9 t -63.21 -36.21 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.6 -60.14 8.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.55 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.9 t -63.89 -44.65 92.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.1 m170 -53.11 -44.6 67.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 80' ' ' VAL . 72.6 t -57.44 -37.91 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -34.56 62.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 82' ' ' CYS . 95.1 t -73.24 -53.06 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 93' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 87' ' ' ALA . 35.2 mtmt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -7.64 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.14 -4.26 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.54 -28.69 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 93' ' ' LYS . 40.7 mt -104.65 -29.28 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.2 p -127.45 20.57 6.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.429 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.89 144.09 34.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 26.9 m -82.16 -58.85 2.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -121.46 143.78 49.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.9 49.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.2 -173.34 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -75.61 -28.42 58.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 89.6 m -83.71 -62.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -100.71 141.93 32.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.654 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.18 23.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.92 -179.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.27 179.86 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.48 15.73 80.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 9' ' ' LEU . 1.7 tm? -77.27 96.93 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.921 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -106.43 162.67 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.402 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -115.93 130.16 56.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 1.9 tm-20 -127.92 63.83 1.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.58 -18.49 14.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 p -125.34 -179.19 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -73.32 -4.56 34.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -132.03 90.9 34.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.455 ' O ' HG23 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.02 176.22 10.2 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 78.8 t -155.3 146.59 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.921 HG22 ' HB3' ' A' ' 10' ' ' LYS . 71.8 t -106.61 117.3 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.437 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 29.5 t80 -95.97 178.34 5.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 20' ' ' PHE . 23.8 m-80 -162.54 120.36 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -77.92 -19.65 54.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.587 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 t -76.66 -0.53 23.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.4 m -108.06 -31.46 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -103.01 36.33 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.587 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -66.93 -42.9 84.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.8 p -69.3 -13.79 62.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.4 t -87.04 142.27 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 144.92 43.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -65.71 -31.77 72.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.92 -2.8 83.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.57 -34.92 34.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.92 -55.29 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 108.34 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -74.87 58.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 23.3 p80 -43.18 148.95 0.57 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.629 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.537 0.208 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -127.79 156.0 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.51 134.93 54.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.8 -48.38 81.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.49 52.04 3.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.14 131.76 43.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.64 109.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.31 -15.34 11.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.3 m -105.15 -90.93 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -108.26 63.22 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.635 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -120.3 60.38 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.7 t -92.2 -48.66 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -19.29 65.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.95 95.27 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -51.92 -45.33 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.2 t80 -75.02 -0.56 19.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.454 ' HD2' HG13 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -100.26 -16.07 17.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.454 HG13 ' HD2' ' A' ' 67' ' ' HIS . 2.4 m -104.28 8.23 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.4 mmt -116.72 -14.4 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.9 m80 -132.31 -63.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.63 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -37.97 124.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.92 -33.04 13.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -70.53 63.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.7 p -125.93 156.14 40.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -23.88 67.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -120.14 156.51 30.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.71 126.74 28.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 p -99.46 162.01 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.1 m -46.98 -67.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 84' ' ' VAL . 80.7 t -63.63 -36.72 77.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.38 -58.53 9.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.48 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.6 t -63.83 -44.79 92.17 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.5 m170 -52.94 -44.24 66.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 80' ' ' VAL . 94.5 t -56.64 -37.92 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -33.94 63.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 82' ' ' CYS . 93.0 t -73.7 -52.03 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB3' ' HG3' ' A' ' 94' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 97' ' ' LEU . 8.8 mmpt? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HG3' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -65.68 -8.85 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.07 -14.48 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.557 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -123.68 4.19 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 96' ' ' ASP . 20.8 mt -126.59 -50.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.7 p -111.51 6.21 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.1 146.66 35.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.4 m -85.99 -53.18 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -129.55 133.3 47.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER 82.07 41.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.87 -172.68 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -74.7 -28.17 60.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 72.9 m -84.58 -65.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.285 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -99.92 129.47 46.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.589 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 160.0 40.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.83 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -88.7 169.26 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.91 16.65 62.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.767 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.79 103.44 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.645 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -110.86 156.71 20.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.68 112.14 13.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 3.6 tm-20 -107.35 66.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.88 -13.48 22.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.3 p -128.28 176.6 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -64.93 -11.44 38.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -124.25 99.8 36.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.32 35.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 76.3 t -145.3 152.74 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.645 HG22 ' CB ' ' A' ' 10' ' ' LYS . 43.7 t -118.8 115.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.554 ' HB3' HD13 ' A' ' 9' ' ' LEU . 35.2 t80 -96.01 176.07 6.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -152.74 140.95 20.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -101.46 -19.95 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.61 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.75 -4.19 53.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 m -103.68 -33.51 8.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -99.26 34.49 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.651 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -67.15 -39.06 86.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.1 p -72.92 -12.07 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.1 t -89.16 139.14 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.01 138.72 54.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.4 m -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.24 -0.46 89.75 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -82.13 -25.85 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.96 -55.05 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 108.316 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -75.22 61.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 23.0 p80 -45.22 148.06 1.16 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.499 0.19 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 176.16 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.23 141.2 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.7 m -64.47 -54.64 29.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.39 54.45 1.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.157 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.17 139.63 38.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.71 123.94 14.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.0 -25.88 24.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.2 m -95.12 -108.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 98.8 m-70 -93.63 70.96 4.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.37 18.14 20.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 7.7 t -81.48 103.62 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.522 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 11.0 mttm -64.38 -24.07 67.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.12 89.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -49.28 -43.33 43.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 3.5 t80 -77.65 0.57 22.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.445 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.9 t60 -103.83 -11.46 17.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 m -107.66 8.07 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.484 ' O ' HG23 ' A' ' 80' ' ' VAL . 8.4 mmt -118.69 -10.48 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' ASP . 11.4 m80 -134.93 -61.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.8 OUTLIER -38.89 137.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.547 ' HD3' HG21 ' A' ' 84' ' ' VAL . 11.4 mttt -104.67 -34.45 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -69.54 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' LYS . 62.1 p -127.02 153.38 46.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HE3' ' CZ ' ' A' ' 76' ' ' PHE . 22.0 ttpt -64.75 -24.76 67.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 57.8 m-85 -116.47 157.61 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -65.31 125.71 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 p -99.08 155.71 17.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.3 m -43.44 -66.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.934 ' O ' HG23 ' A' ' 84' ' ' VAL . 93.1 t -63.22 -35.82 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.79 -60.32 8.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.507 ' O ' HG23 ' A' ' 86' ' ' VAL . 44.0 t -63.89 -45.06 91.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.5 m170 -52.9 -44.41 66.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 80' ' ' VAL . 54.3 t -56.23 -38.29 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -34.27 62.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 82' ' ' CYS . 94.0 t -73.06 -53.51 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -10.73 26.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.05 -7.68 10.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -112.7 -8.43 13.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 93' ' ' LYS . 16.0 mt -120.24 -43.01 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.537 ' HB ' HG13 ' A' ' 80' ' ' VAL . 18.7 p -117.93 19.47 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.21 156.24 45.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.36 -44.72 6.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.69 140.91 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 mttp 66.85 46.65 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.47 -173.43 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 9.9 mmtm -74.73 -30.09 61.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 64.3 m -82.74 -64.11 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -96.08 145.55 25.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 155.02 42.93 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.92 177.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -88.92 163.61 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.03 17.19 35.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -74.24 93.62 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.781 ' HB2' HG22 ' A' ' 19' ' ' VAL . 1.2 tttp -89.12 147.27 24.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.483 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 25.2 mtp -115.9 94.58 4.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 8.3 tm-20 -103.01 65.0 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.62 -13.69 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.9 p -129.55 176.61 7.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -64.77 -11.16 33.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -128.22 96.78 30.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 11' ' ' MET . 18.5 Cg_endo -74.96 165.86 30.46 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 71.8 t -148.69 150.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 10' ' ' LYS . 52.4 t -116.1 113.08 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -96.62 174.59 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -148.01 133.83 19.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -91.39 -10.58 40.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 m -88.82 -4.29 58.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.8 m -103.26 -31.89 9.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -101.49 35.31 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -67.5 -38.2 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.9 p -73.07 -14.35 61.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.6 t -86.5 139.38 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.3 136.68 50.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.4 m -59.06 -30.88 68.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.257 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.93 -2.86 87.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -80.21 -28.59 38.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.39 -54.39 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.324 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -76.91 56.12 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -42.31 148.65 0.5 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.659 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.505 0.193 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -122.68 176.11 6.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 133.9 35.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -57.42 -46.57 83.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.86 50.49 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.7 140.4 31.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.351 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.87 122.13 10.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.33 -25.1 27.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.9 m -95.02 -109.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.437 ' CE1' HG11 ' A' ' 68' ' ' VAL . 99.8 m-70 -93.75 69.95 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.58 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.02 20.31 18.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.48 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 4.4 t -80.49 102.49 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.42 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 10.1 mtmt -64.69 -22.63 67.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.52 95.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.459 ' O ' ' CG ' ' A' ' 69' ' ' MET . 69.9 t80 -54.97 -43.52 73.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.6 t80 -77.11 2.14 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.535 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.5 t60 -102.21 -31.94 10.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.485 HG13 ' HD2' ' A' ' 67' ' ' HIS . 3.5 m -88.06 8.96 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 4.0 mmt -120.13 -10.67 9.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 71' ' ' ASP . 15.2 m80 -135.5 -60.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.9 t70 -39.42 134.31 1.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.712 ' HD3' HG21 ' A' ' 84' ' ' VAL . 19.3 mttt -102.04 -34.25 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -71.34 62.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.535 HG22 ' CE1' ' A' ' 67' ' ' HIS . 41.9 p -124.29 154.97 39.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -64.6 -23.36 67.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -119.93 156.9 29.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -65.06 125.08 23.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 p -97.47 159.47 14.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.941 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 54.2 m -44.89 -67.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 108.268 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 84' ' ' VAL . 71.5 t -63.6 -36.74 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.95 -59.51 8.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.528 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.2 t -63.9 -45.19 90.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.3 m170 -52.67 -44.36 66.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 80' ' ' VAL . 78.1 t -55.04 -38.29 45.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -34.09 61.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 82' ' ' CYS . 73.2 t -72.51 -53.32 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 97' ' ' LEU . 10.1 mtmm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -11.81 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.76 -4.41 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.96 -13.26 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 93' ' ' LYS . 28.5 mt -116.95 -39.56 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.47 ' HB ' HG13 ' A' ' 80' ' ' VAL . 18.1 p -119.15 19.16 12.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.49 147.21 46.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.2 m -87.16 -49.06 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.56 140.25 50.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 69.85 47.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.59 -173.16 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -74.48 -29.92 61.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 75.2 m -83.62 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.281 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -98.17 128.61 44.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.281 -0.636 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.03 25.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 169.32 2.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -83.32 166.44 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.9 18.88 45.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -74.3 92.97 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.789 ' HB2' HG22 ' A' ' 19' ' ' VAL . 4.9 ttpm? -89.29 143.95 26.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.5 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 19.8 mtp -111.64 96.25 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 5.3 tm-20 -105.26 65.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.18 -10.48 14.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 p -132.83 176.24 8.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -10.34 33.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -128.42 94.69 34.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' A' ' 11' ' ' MET . 18.3 Cg_endo -74.97 166.46 29.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 71.5 t -150.02 151.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.789 HG22 ' HB2' ' A' ' 10' ' ' LYS . 53.5 t -116.47 112.74 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.471 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 87.3 t80 -95.98 168.46 10.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -139.89 131.91 27.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -90.42 -8.2 51.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -92.33 -5.38 52.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 m -101.95 -30.66 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.471 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 59.2 m80 -101.96 35.14 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.39 -40.18 85.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 p -70.24 -13.3 62.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.66 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 137.07 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -58.25 -31.35 67.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.01 -4.52 83.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -78.46 -35.03 47.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.2 m -104.69 -54.68 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -75.94 73.17 2.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -63.88 148.28 95.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.544 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.038 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 1.8 m-30 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.531 0.205 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.53 174.5 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 130.72 35.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.58 -46.32 89.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.323 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.0 51.29 3.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -94.72 131.52 40.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.7 108.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.48 -12.44 13.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.7 m -105.58 -91.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -107.78 65.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.652 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -126.42 76.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 t -108.15 -32.28 7.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -64.57 -19.26 65.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.12 92.88 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -52.02 -37.8 54.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.0 OUTLIER -81.73 -1.35 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.461 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -99.51 -17.78 17.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.631 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 m -100.49 8.28 8.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.428 ' O ' HG23 ' A' ' 80' ' ' VAL . 9.6 mmt -118.92 -9.59 10.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 71' ' ' ASP . 11.3 m80 -135.44 -63.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.66 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -38.2 131.49 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.85 -34.24 10.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -71.0 65.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.5 p -126.6 156.1 41.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -64.33 -24.97 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -120.25 155.19 33.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.74 127.03 29.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.31 163.05 12.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.047 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 57.9 m -48.18 -66.61 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.335 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.99 ' O ' HG23 ' A' ' 84' ' ' VAL . 96.2 t -63.51 -39.09 84.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.4 -58.68 7.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.73 -46.09 86.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.2 m170 -51.95 -44.32 63.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 109.566 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 80' ' ' VAL . 93.8 t -54.93 -37.33 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -33.96 60.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.2 t -73.23 -51.55 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 97' ' ' LEU . 4.1 mtmp? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -9.97 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -5.2 11.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.518 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -119.69 -0.51 10.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' LYS . 22.4 mt -125.81 -49.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.496 ' HB ' HG13 ' A' ' 80' ' ' VAL . 21.6 p -109.76 9.58 24.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.41 148.24 37.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.45 -58.39 2.6 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -119.58 142.65 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 66.3 49.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.81 -173.31 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -74.71 -29.11 61.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.11 -62.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -100.29 139.87 35.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.78 -166.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -103.61 168.82 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.99 10.57 75.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.892 HD13 ' O ' ' A' ' 9' ' ' LEU . 1.2 tm? -74.56 95.68 2.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.938 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.55 161.84 14.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -115.49 128.55 56.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 4.1 tm-20 -127.08 62.52 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.51 -20.3 15.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p -123.84 -178.77 4.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -72.97 -4.83 34.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.47 90.81 39.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.453 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.4 Cg_endo -75.0 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 17' ' ' PRO . 69.0 t -155.25 147.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.938 HG22 ' HB3' ' A' ' 10' ' ' LYS . 73.1 t -105.9 115.22 47.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -100.52 162.0 13.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -139.72 146.07 39.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -100.53 -20.59 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.581 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 t -78.74 -0.91 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.9 m -105.32 -32.75 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -101.28 35.59 2.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -66.3 -43.71 85.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.1 p -68.27 -15.46 63.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -85.14 141.31 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 137.92 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.45 -34.49 72.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.325 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.61 -2.29 68.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -82.29 -31.7 29.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -106.33 -55.6 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.75 58.12 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -42.64 149.28 0.49 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.624 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.532 1.807 . . . . 0.0 111.008 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.471 0.177 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.23 174.36 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.31 136.75 32.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.92 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.35 52.45 3.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -94.11 133.35 37.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 110.359 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.8 104.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.13 -9.78 11.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.4 m -107.54 -100.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -99.65 75.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -135.44 78.9 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.5 p -106.84 -35.17 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -64.83 -20.01 66.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.48 100.98 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -59.68 -43.81 93.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -75.78 -0.09 19.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.475 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.9 t60 -99.84 -20.87 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.595 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.0 m -97.33 8.16 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.4 mmt -115.76 -15.18 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.0 m80 -131.6 -63.17 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.614 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -39.38 123.88 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -32.15 15.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.16 71.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.2 p -135.81 156.05 49.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.363 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -64.69 -25.06 67.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -116.43 159.29 22.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.42 125.75 27.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.5 p -96.03 160.72 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.5 m -48.56 -66.18 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.65 ' O ' HG23 ' A' ' 84' ' ' VAL . 69.1 t -63.66 -37.65 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.44 -58.98 8.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.496 ' O ' HG23 ' A' ' 86' ' ' VAL . 44.3 t -63.69 -45.67 88.97 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 14.2 m170 -52.37 -45.01 65.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.561 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 80' ' ' VAL . 39.2 t -57.25 -37.29 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -32.73 62.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 82' ' ' CYS . 96.1 t -76.09 -52.46 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.472 ' CB ' ' HG3' ' A' ' 94' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 97' ' ' LEU . 14.1 mmtt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.472 ' HG3' ' CB ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -63.96 -11.81 31.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.27 -6.56 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.58 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -123.46 5.11 9.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 96' ' ' ASP . 26.9 mt -127.63 -48.68 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.517 ' HB ' HG13 ' A' ' 80' ' ' VAL . 18.4 p -112.36 5.14 18.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.18 149.0 32.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.59 -56.63 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.71 141.03 52.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 73.35 40.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.78 -174.0 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -74.93 -29.79 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 79.2 m -82.71 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 108.27 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -100.47 138.11 37.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.578 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.06 15.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.61 145.51 44.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.22 147.95 50.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.8 27.63 6.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.15 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -74.5 100.6 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.756 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.735 ' HB2' HG22 ' A' ' 19' ' ' VAL . 41.1 tttt -91.51 148.1 22.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -133.39 99.63 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 13.4 tm-20 -105.52 66.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.16 -17.13 28.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 p -126.39 -179.98 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -64.3 -12.05 37.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.29 98.87 40.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.457 ' HB3' ' CG ' ' A' ' 12' ' ' GLU . 18.3 Cg_endo -75.01 157.51 42.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.8 t -140.07 155.42 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.735 HG22 ' HB2' ' A' ' 10' ' ' LYS . 38.0 t -122.24 113.59 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -100.43 149.4 23.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -123.51 129.72 51.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -83.09 -24.02 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.609 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.6 p -75.78 -2.08 28.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.0 m -104.0 -33.67 8.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -101.35 36.17 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -68.44 -39.17 81.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.0 -10.79 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.02 141.23 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -72.52 134.1 45.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.65 -36.72 69.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.44 -3.84 59.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 15.9 t0 -79.85 -33.53 40.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.16 -54.89 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -76.73 59.41 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 28.6 p80 -45.56 148.64 1.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.587 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.45 0.167 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -135.58 145.34 46.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 135.94 56.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.9 -53.32 57.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 108.313 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.87 52.61 3.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -94.07 133.35 37.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 110.421 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.78 103.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.11 -9.02 11.28 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.45 1.094 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -107.74 -101.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.493 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.4 m-70 -97.85 74.63 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.65 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.07 80.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.6 p -112.89 -33.06 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.041 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -64.89 -12.81 53.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.68 98.05 1.14 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.153 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.31 -44.42 75.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.0 OUTLIER -74.59 -0.54 18.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.509 ' CE1' HG22 ' A' ' 74' ' ' THR . 0.6 OUTLIER -98.07 -19.33 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.612 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.493 HG11 ' CE1' ' A' ' 52' ' ' HIS . 3.8 m -98.14 9.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.9 mmt -118.15 -12.3 10.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.3 m80 -135.81 -63.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -38.03 125.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -29.64 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -70.76 60.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.509 HG22 ' CE1' ' A' ' 67' ' ' HIS . 44.8 p -125.88 153.84 43.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -64.88 -28.51 69.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 67.2 m-85 -110.07 156.85 20.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -65.59 122.59 17.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.66 159.64 14.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.7 m -45.87 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.969 ' O ' HG23 ' A' ' 84' ' ' VAL . 75.5 t -63.75 -35.5 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.8 -60.26 8.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.519 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.8 t -63.67 -44.97 92.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.7 m170 -52.95 -44.26 66.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 80' ' ' VAL . 53.0 t -55.46 -38.05 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -34.29 62.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 82' ' ' CYS . 68.2 t -72.39 -54.03 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 97' ' ' LEU . 6.2 mtmp? . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -64.29 -11.72 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -121.84 -5.77 9.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.86 -9.76 13.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 93' ' ' LYS . 18.1 mt -119.49 -40.48 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.586 ' HB ' HG13 ' A' ' 80' ' ' VAL . 18.6 p -119.75 19.07 12.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.34 155.24 49.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -94.67 -39.19 10.45 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 137.78 31.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.4 tttp 73.87 40.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.97 -171.65 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -74.46 -27.99 60.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.0 m -86.72 -67.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -96.35 147.05 24.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.572 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.647 ' OXT' ' HG3' ' A' ' 107' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.25 16.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.548 1.814 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.7 171.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -94.27 157.72 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.24 30.28 17.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -74.69 93.65 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.903 ' HB2' HG22 ' A' ' 19' ' ' VAL . 6.7 tttp -95.99 123.14 39.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.406 ' O ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -109.6 109.01 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 8.0 tm-20 -108.97 68.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.17 -17.57 27.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -126.55 179.28 5.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.45 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -64.45 -11.76 36.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.96 96.98 39.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 18.4 Cg_endo -74.95 164.05 34.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 63.6 t -142.37 152.05 18.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.903 HG22 ' HB2' ' A' ' 10' ' ' LYS . 41.5 t -119.36 114.17 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -107.78 138.63 43.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -119.25 113.87 21.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -64.85 -21.4 66.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.579 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.5 p -75.23 -3.53 33.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -103.35 -33.63 9.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -101.67 36.31 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -67.99 -38.19 82.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.4 p -73.17 -15.67 61.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.0 t -85.43 141.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -73.43 142.87 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.55 -31.77 73.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 108.318 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.31 -4.26 78.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -80.39 -34.43 36.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -105.43 -55.12 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.319 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -75.87 57.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.559 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 27.1 p80 -43.27 148.94 0.59 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.482 0.182 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.33 175.04 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 128.2 34.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.85 -45.84 71.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 108.264 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.18 51.77 3.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.59 136.36 36.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.74 109.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.91 -16.37 13.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.563 1.165 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 95.2 m -104.38 -100.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.406 ' CE1' HG11 ' A' ' 68' ' ' VAL . 97.2 m-70 -100.06 71.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.557 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -133.4 77.91 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 t -106.01 -35.83 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -64.69 -20.4 66.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.73 92.04 0.27 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.435 1.084 . . . . 0.0 111.01 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -52.74 -39.11 61.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -78.45 -0.42 29.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.529 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -101.69 -14.6 17.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.406 HG11 ' CE1' ' A' ' 52' ' ' HIS . 2.7 m -101.87 8.48 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 80' ' ' VAL . 13.3 mmt -117.26 -14.04 10.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' ASP . 7.1 m80 -133.43 -62.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.586 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.529 ' OD2' ' CE1' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -38.72 125.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.87 -30.46 14.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 73' ' ' ASN . 6.9 p30 -71.33 65.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.438 HG22 ' CE1' ' A' ' 67' ' ' HIS . 41.5 p -129.57 156.28 44.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -65.3 -27.23 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -114.22 156.8 23.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -64.02 126.35 27.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 p -99.04 155.86 17.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 57.5 m -42.79 -66.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.3 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.002 ' O ' HG23 ' A' ' 84' ' ' VAL . 98.9 t -63.54 -37.42 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.94 -59.26 8.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.499 ' O ' HG23 ' A' ' 86' ' ' VAL . 43.9 t -63.56 -45.49 90.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.7 m170 -52.95 -44.22 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 80' ' ' VAL . 81.7 t -57.03 -37.53 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -33.87 62.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 82' ' ' CYS . 78.7 t -75.02 -54.07 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 97' ' ' LEU . 23.7 mtmt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -64.69 -10.6 28.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.84 -15.55 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -120.29 4.15 10.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 96' ' ' ASP . 13.7 mt -123.22 -46.81 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.492 ' HB ' HG13 ' A' ' 80' ' ' VAL . 19.2 p -117.97 8.54 12.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.44 149.31 43.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.0 m -87.17 -58.15 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.09 135.73 54.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.78 49.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.39 -174.78 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -75.3 -31.33 60.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 68.6 m -80.84 -62.02 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 108.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -101.94 145.55 29.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 109.602 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.72 150.95 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.5 150.15 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.4 25.99 7.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 9' ' ' LEU . 1.1 tm? -74.68 104.3 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.773 . . . . 0.0 109.344 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.939 ' HB2' HG22 ' A' ' 19' ' ' VAL . 4.5 tttt -102.61 146.49 28.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.403 ' SD ' ' OH ' ' A' ' 65' ' ' TYR . 1.7 ptp -124.14 104.65 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 1.6 tm-20 -104.52 67.54 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.29 -10.09 26.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.1 p -135.29 177.27 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -63.96 -14.9 57.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -119.69 97.26 49.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 160.0 40.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 60.0 t -142.02 152.71 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.939 HG22 ' HB2' ' A' ' 10' ' ' LYS . 41.8 t -119.55 117.38 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -106.02 144.83 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -121.06 130.16 53.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -82.24 -26.37 33.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.622 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.4 p -74.47 -2.99 28.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -102.33 -32.04 10.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -103.29 37.18 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -68.92 -40.2 79.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 p -71.76 -9.29 58.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.6 t -91.83 142.39 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 135.39 44.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 m -58.56 -28.86 65.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.65 -3.54 89.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -79.51 -33.98 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.0 m -104.89 -54.49 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.79 56.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 21.3 p80 -41.76 148.34 0.46 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.632 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.474 0.178 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.08 170.63 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 135.36 36.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.29 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.76 52.42 3.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.2 133.52 38.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 0.726 . . . . 0.0 110.41 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.89 107.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.29 -12.45 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.9 m -105.62 -99.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.468 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.1 m-70 -100.23 81.12 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.65 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.04 81.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -112.21 -28.5 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -7.0 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.33 91.43 0.94 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.403 ' OH ' ' SD ' ' A' ' 11' ' ' MET . 69.0 t80 -50.84 -37.47 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -83.44 0.26 46.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -104.2 -8.38 19.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.468 HG11 ' CE1' ' A' ' 52' ' ' HIS . 2.1 m -105.28 7.28 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.458 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -121.85 -5.86 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.4 m80 -134.51 -62.51 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 70' ' ' HIS . 2.4 t70 -39.08 133.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HE3' HG21 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -104.69 -20.75 13.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -86.48 56.93 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 p -117.21 158.33 24.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -64.75 -26.01 68.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -117.78 157.07 27.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -62.69 122.35 15.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 2.9 p -95.86 157.78 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 50.0 m -44.92 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 108.284 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.815 ' O ' HG23 ' A' ' 84' ' ' VAL . 92.7 t -63.67 -36.55 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.42 -59.44 9.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.5 t -63.91 -45.21 90.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 12.6 m170 -53.0 -44.54 67.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.641 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 80' ' ' VAL . 49.7 t -57.6 -37.52 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.52 -33.7 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 82' ' ' CYS . 92.9 t -74.95 -54.07 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.463 ' CB ' ' HG2' ' A' ' 94' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 22.9 mttt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -63.83 -11.58 28.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.98 -8.59 14.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -118.36 1.23 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 93' ' ' LYS . 19.9 mt -126.37 -45.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.62 ' HB ' HG13 ' A' ' 80' ' ' VAL . 16.4 p -116.44 13.03 15.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.61 153.09 47.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.4 m -90.24 -56.87 3.05 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.77 134.23 54.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.45 46.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.39 -173.71 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -74.82 -30.69 61.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.3 m -83.01 -63.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -100.09 132.6 45.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 18.2 Cg_endo -75.01 -12.34 21.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.54 1.81 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 47.51 -172.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.35 149.0 81.29 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.4 Cg_endo -74.98 172.84 15.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 179.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -94.09 168.87 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.96 22.32 59.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.07 102.03 4.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.668 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -112.13 153.87 26.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.498 ' HE2' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -129.19 113.81 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.2 tm-20 -108.19 67.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.16 -10.06 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.408 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 12.0 p -131.53 176.48 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -64.76 -11.77 40.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.35 99.44 36.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.54 37.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.821 HG21 ' C2D' ' A' ' 111' ' ' HEC . 74.2 t -143.03 153.92 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.668 HG22 ' CB ' ' A' ' 10' ' ' LYS . 45.9 t -120.8 114.53 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.565 ' HB3' HD13 ' A' ' 9' ' ' LEU . 63.0 t80 -100.61 165.03 11.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -144.84 138.5 27.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -93.88 -20.19 20.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.554 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -77.12 -3.03 37.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.742 HG21 HBA1 ' A' ' 110' ' ' HEC . 23.7 m -105.17 -34.83 7.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 59.9 m80 -99.23 34.66 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.68 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -67.71 -35.82 79.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 p -76.5 -11.77 59.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 t -88.8 143.15 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 137.63 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 m -60.04 -33.09 71.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.8 -4.28 76.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.479 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 14.6 t0 -79.94 -33.4 39.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.482 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.9 m -105.45 -55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -76.4 56.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 27.0 p80 -41.97 148.67 0.46 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.578 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.96 135.01 18.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 72.6 t -125.01 114.73 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 2.1 t-20 82.55 -1.13 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.84 0.48 56.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.48 141.07 38.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.89 127.4 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -149.19 159.84 43.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.744 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 17.3 m-30 -98.26 93.58 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -124.17 176.26 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.33 134.14 33.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.438 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.4 m -56.72 -44.28 81.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.87 48.57 3.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -89.25 130.93 35.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.92 102.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.3 -7.82 10.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.7 m -108.74 -92.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.4 ' CE1' HG11 ' A' ' 68' ' ' VAL . 94.9 m-70 -107.11 74.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -135.75 76.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.8 p -107.98 -30.87 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.64 34.83 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 58' ' ' LYS . 1.1 t70 -105.04 -35.0 7.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.64 -64.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -82.23 72.2 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -140.63 -51.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.47 ' HA ' ' CG ' ' A' ' 67' ' ' HIS . 3.6 pttm 41.99 90.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -157.87 -54.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.465 ' HB1' HAD1 ' A' ' 109' ' ' HEC . . . -179.44 -54.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -19.68 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.66 93.31 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -53.25 -40.98 65.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -78.47 0.25 26.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.566 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.3 t60 -99.38 -30.73 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.641 HG12 ' C3A' ' A' ' 109' ' ' HEC . 3.5 m -87.03 8.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.2 mmt -117.69 -13.36 10.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 12.6 m80 -132.91 -60.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.588 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 2.1 t70 -39.0 132.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.81 -29.55 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -76.41 60.52 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.691 HG22 ' O1A' ' A' ' 109' ' ' HEC . 37.6 p -122.24 157.39 31.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -64.71 -24.6 67.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -118.54 157.92 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -65.24 125.36 24.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.78 162.19 13.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.6 m -49.05 -66.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.943 ' O ' HG23 ' A' ' 84' ' ' VAL . 74.6 t -63.64 -35.6 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.49 -59.82 8.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.3 t -63.69 -45.19 91.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 11.5 m170 -52.86 -44.33 66.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.943 HG23 ' O ' ' A' ' 80' ' ' VAL . 67.9 t -56.98 -37.67 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -34.12 62.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 82' ' ' CYS . 72.3 t -74.03 -53.7 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.69 83.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.67 -122.0 1.24 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.13 60.93 0.64 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -111.34 -17.02 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.683 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . 61.37 146.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 84.03 -50.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 97' ' ' LEU . 11.1 mttm -66.75 -45.66 77.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' CG ' ' OG1' ' A' ' 98' ' ' THR . 1.6 ttpp -64.77 -10.3 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -14.9 20.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.531 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -122.7 5.07 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.651 ' O ' HMC1 ' A' ' 111' ' ' HEC . 13.5 mt -123.24 -44.75 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.588 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 19.2 p -119.56 6.09 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.14 144.76 48.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.538 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 11.4 m -81.29 -51.99 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -124.63 140.06 53.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mttt 72.15 46.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.55 -173.58 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 2.8 mmtt -75.08 -29.34 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.6 m -85.15 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.291 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -95.05 132.74 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.597 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.944 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.705 HMB1 HBB3 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.052 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.821 ' C2D' HG21 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.96 -89.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.29 157.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.457 ' N ' HMB2 ' A' ' 108' ' ' HEC . . . -65.16 142.0 98.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.516 ' HD3' ' C4A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -74.98 166.2 29.72 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.27 -170.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -101.68 169.22 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.76 21.79 65.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.759 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.91 105.56 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.647 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -114.89 150.88 34.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.485 ' CE ' ' O2D' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -123.64 114.24 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 1.5 tm-20 -108.63 67.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.82 -11.66 23.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.439 HG23 ' CGD' ' A' ' 111' ' ' HEC . 10.0 p -129.37 176.27 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -64.9 -11.69 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.19 99.2 37.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.85 40.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.855 HG21 ' C1D' ' A' ' 111' ' ' HEC . 73.9 t -140.9 152.42 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.647 HG22 ' CB ' ' A' ' 10' ' ' LYS . 49.8 t -117.29 118.48 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 9' ' ' LEU . 57.6 t80 -107.55 163.26 13.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -141.62 147.38 37.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -101.05 -21.8 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.539 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.71 -4.84 45.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.7 m -102.37 -31.99 10.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.464 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 63.8 m80 -101.78 35.94 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -67.86 -40.73 83.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.7 p -71.41 -13.45 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.8 t -87.4 140.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 139.76 50.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.0 m -62.92 -27.94 69.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 108.297 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.95 -1.12 90.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 17.9 t0 -82.4 -31.89 29.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.546 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.7 m -105.9 -55.43 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 108.269 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -75.38 57.2 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -41.21 148.69 0.39 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.622 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.7 t -86.65 -64.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.88 35.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.31 0.1 76.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.103 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -121.62 142.51 50.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 0.809 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -92.8 80.96 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -81.23 138.95 35.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 1.091 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 13.9 m-30 -91.36 81.96 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -121.89 173.44 7.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 132.22 37.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.443 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.4 m -57.59 -47.55 81.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.347 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.88 51.5 3.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.9 131.58 42.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.435 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.69 108.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.82 -13.55 13.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m -105.53 -90.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.429 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.4 m-70 -109.55 70.8 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -133.01 75.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.7 t -108.2 -25.82 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.66 34.3 9.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -128.7 69.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.49 -52.37 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.0 62.26 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -171.91 90.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.24 145.37 26.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.12 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.25 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -70.73 -7.38 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.45 91.73 0.76 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -51.2 -42.14 60.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -78.53 -0.64 30.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.506 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.9 t60 -99.28 -26.75 14.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.635 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.691 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.8 m -90.74 8.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.413 ' O ' HG23 ' A' ' 80' ' ' VAL . 9.2 mmt -118.06 -13.02 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 14.2 m80 -132.49 -61.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.564 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.9 t70 -38.87 132.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -27.97 12.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -76.73 61.18 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.811 HG22 ' O1A' ' A' ' 109' ' ' HEC . 42.7 p -123.32 157.37 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -64.75 -25.32 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -117.94 157.04 27.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.75 125.75 25.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 p -99.35 157.61 16.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.6 m -43.9 -66.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 108.283 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.904 ' O ' HG23 ' A' ' 84' ' ' VAL . 88.9 t -63.46 -35.6 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.7 -59.93 8.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.45 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.9 t -63.76 -45.53 89.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.42 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 13.0 m170 -52.56 -44.07 65.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.617 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 80' ' ' VAL . 56.0 t -56.69 -37.78 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -33.58 63.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 82' ' ' CYS . 89.4 t -74.19 -51.23 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.465 ' CB ' ' HG3' ' A' ' 94' ' ' LYS . . . -72.27 -12.05 60.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . -36.92 119.06 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 88' ' ' GLY . . . 40.25 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 0.799 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.56 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 19.2 t0 -165.05 -43.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.702 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . 75.2 144.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 84.49 -48.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' A' ' 97' ' ' LEU . 3.4 mmtm -73.14 -41.12 64.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -63.91 -11.08 24.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.24 -8.51 14.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.546 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -120.95 2.91 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.731 ' O ' HMC1 ' A' ' 111' ' ' HEC . 15.8 mt -125.19 -46.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.56 ' HB ' HG13 ' A' ' 80' ' ' VAL . 19.2 p -114.84 7.75 15.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.5 148.86 46.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.484 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 8.8 m -84.75 -57.44 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.14 139.51 53.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 74.09 42.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -174.08 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.565 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 18.6 mmtm -74.99 -29.91 61.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 52.4 m -83.25 -66.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -94.14 142.94 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.091 HMB3 ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 1.021 ' CGD' HMD1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.051 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.855 ' C1D' HG21 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.573 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 18.5 Cg_endo -74.94 -87.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 172.71 155.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.445 ' N ' HMB2 ' A' ' 108' ' ' HEC . . . -64.75 142.32 98.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.513 ' HD3' ' C4A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -75.02 164.01 34.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.96 -172.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -100.08 159.77 14.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.76 26.34 29.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.714 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.92 96.8 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.985 ' HB2' HG22 ' A' ' 19' ' ' VAL . 2.9 tttt -101.73 142.02 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.645 ' HE2' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -122.74 112.18 17.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 10.0 tm-20 -108.84 68.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.409 ' H ' ' CGD' ' A' ' 111' ' ' HEC . . . -98.0 -9.02 26.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.442 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 16.8 p -131.9 176.86 8.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -64.62 -11.63 37.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -126.42 101.21 28.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.63 36.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.784 HG21 ' C2D' ' A' ' 111' ' ' HEC . 67.4 t -143.16 152.86 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.985 HG22 ' HB2' ' A' ' 10' ' ' LYS . 43.9 t -118.63 113.8 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -103.52 163.98 11.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -141.44 141.68 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.271 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -95.88 -19.7 19.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.6 -1.7 35.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -105.64 -36.28 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.497 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 61.1 m80 -97.55 33.45 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -41.52 92.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.2 p -70.01 -15.75 63.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -85.23 141.08 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 139.1 49.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.6 m -62.36 -27.4 69.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.06 -1.37 90.3 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.501 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 19.6 t0 -82.77 -32.35 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.595 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.6 m -105.04 -55.74 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.51 57.26 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -40.43 148.65 0.34 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.627 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.495 HG21 HBC2 ' A' ' 109' ' ' HEC . 36.8 t -84.82 -69.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.82 32.21 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.58 0.32 89.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -117.34 143.77 45.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.57 70.37 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -75.1 145.66 42.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 1.151 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 13.3 m-30 -95.61 87.04 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.4 174.7 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 132.99 35.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.446 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.5 m -58.3 -49.23 77.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.306 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.76 51.49 3.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.73 131.83 41.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.83 108.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.11 -13.79 12.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.6 m -105.51 -91.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -109.0 69.66 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -130.53 76.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -105.41 -35.07 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.87 35.78 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 11.7 m-20 -142.06 86.34 1.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.609 1.193 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -41.72 -52.65 3.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.26 56.06 2.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 11.4 t70 -122.95 -58.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.534 ' HA ' ' CG ' ' A' ' 67' ' ' HIS . 0.0 OUTLIER 63.21 -139.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.7 m 72.16 -71.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -178.69 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -10.99 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.16 96.95 1.01 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.75 -44.23 73.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -75.75 0.16 18.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 60' ' ' LYS . 1.6 t60 -99.26 -21.87 15.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.696 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.8 m -96.87 8.9 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.478 ' O ' HG23 ' A' ' 80' ' ' VAL . 12.1 mmt -117.42 -14.51 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 7.9 m80 -132.6 -63.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.637 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -37.84 132.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.657 ' HD3' HG21 ' A' ' 84' ' ' VAL . 19.9 mttp -99.49 -32.74 10.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -69.47 65.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.585 HG22 ' O1A' ' A' ' 109' ' ' HEC . 58.4 p -129.88 153.34 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -64.7 -25.44 67.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -115.91 155.71 27.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -64.06 126.29 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.63 161.71 13.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.4 m -47.86 -66.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.985 ' O ' HG23 ' A' ' 84' ' ' VAL . 98.0 t -63.56 -37.84 80.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.91 -59.22 8.3 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.483 ' O ' HG23 ' A' ' 86' ' ' VAL . 45.0 t -63.72 -45.85 88.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.451 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 13.2 m170 -52.62 -44.09 65.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.633 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.1 t -56.31 -38.51 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -33.82 62.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 82' ' ' CYS . 85.1 t -73.23 -52.47 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.75 -31.74 73.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.357 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.69 -102.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.53 65.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.674 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 8.6 t0 -112.41 -32.87 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 90' ' ' ASP . . . 82.97 -76.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.49 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 90.0 mttt -81.65 -36.01 29.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -64.42 -9.38 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.64 -10.53 12.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.437 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -114.46 -3.5 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.703 ' O ' HMC1 ' A' ' 111' ' ' HEC . 17.9 mt -121.9 -46.68 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.541 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 19.4 p -115.03 15.1 17.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.16 152.56 46.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.54 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 1.7 m -91.35 -50.38 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.11 139.73 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp 70.91 45.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.6 -172.63 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.536 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 10.3 mmtm -74.4 -30.75 62.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.8 m -83.42 -63.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -97.96 141.1 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.597 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.151 HMB3 ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.785 ' CGD' HMD1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.04 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.842 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.478 ' HD2' ' CE2' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -75.0 176.84 9.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -90.09 169.43 11.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.96 153.39 88.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.512 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.1 Cg_endo -75.08 173.32 14.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 159.06 15.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -77.42 163.08 26.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.21 25.24 34.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.774 HD11 HBD1 ' A' ' 108' ' ' HEC . 0.1 OUTLIER -74.96 98.25 3.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 1.011 ' HB2' HG22 ' A' ' 19' ' ' VAL . 2.1 ttpm? -103.61 143.74 32.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.554 ' HE2' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -120.21 103.92 9.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 1.6 tm-20 -102.21 65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' H ' ' CGD' ' A' ' 111' ' ' HEC . . . -96.22 -10.39 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.563 HG23 ' O2D' ' A' ' 111' ' ' HEC . 69.6 p -132.67 176.58 8.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.32 -14.36 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -119.53 98.56 50.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.8 42.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.842 HG21 ' C1D' ' A' ' 111' ' ' HEC . 67.0 t -139.91 145.56 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.011 HG22 ' HB2' ' A' ' 10' ' ' LYS . 47.4 t -111.85 117.65 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.484 ' HB3' HD13 ' A' ' 9' ' ' LEU . 86.4 t80 -106.39 149.5 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -127.16 137.86 53.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -91.49 -27.05 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 m -74.23 -3.06 27.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.695 HG21 HBA1 ' A' ' 110' ' ' HEC . 34.0 m -102.83 -30.85 10.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.418 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 65.8 m80 -102.49 34.92 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.608 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -65.1 -43.29 92.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.2 p -69.17 -8.04 41.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.2 140.43 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.04 142.03 45.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -63.06 -30.93 71.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 108.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.74 -3.83 84.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 17.4 t0 -80.89 -31.63 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.8 m -107.65 -55.07 2.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.33 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -76.33 56.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.571 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.1 p80 -41.68 148.54 0.44 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.568 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.07 117.31 4.85 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.669 HG21 HBC2 ' A' ' 109' ' ' HEC . 40.7 t -86.71 -68.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -97.53 34.63 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.78 -0.31 88.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -115.75 151.75 34.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.52 66.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -74.91 130.98 40.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.647 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 9.5 m-30 -78.54 91.89 4.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.08 174.64 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.31 131.46 35.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.495 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.5 m -56.95 -46.46 82.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.25 49.03 3.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -93.82 132.83 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.421 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.71 111.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.86 -16.11 18.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.3 m -103.8 -91.61 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -109.07 74.1 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.643 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -135.75 75.76 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 t -107.1 -32.38 7.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.83 34.86 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -106.03 -32.54 8.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.448 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER 69.83 -63.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -90.75 68.55 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -143.3 -47.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HA ' ' CG ' ' A' ' 67' ' ' HIS . 0.1 OUTLIER 66.0 -119.76 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m 63.45 -78.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -173.96 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -65.09 -22.9 67.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.49 94.27 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -54.72 -41.86 70.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.5 t80 -76.97 -0.0 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.489 ' CE1' ' H2A' ' A' ' 109' ' ' HEC . 2.0 t60 -100.25 -18.76 16.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.59 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.677 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.9 m -99.34 8.82 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 80' ' ' VAL . 9.0 mmt -117.45 -13.15 10.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.9 m80 -133.51 -63.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -38.54 132.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.25 -32.31 10.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -71.41 67.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.812 HG22 ' O2A' ' A' ' 109' ' ' HEC . 45.8 p -130.45 156.27 45.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -64.97 -24.27 67.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -118.96 156.7 29.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -64.01 127.02 29.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 p -99.32 156.91 16.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.7 m -43.36 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 108.282 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.996 ' O ' HG23 ' A' ' 84' ' ' VAL . 97.4 t -63.34 -37.61 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.67 -59.96 7.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.582 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.9 t -63.49 -44.91 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.533 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 13.5 m170 -52.79 -44.07 66.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 80' ' ' VAL . 83.2 t -55.92 -41.98 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 -34.45 62.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 82' ' ' CYS . 85.5 t -70.34 -52.04 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.87 -18.9 65.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 41.3 -115.95 0.84 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.06 77.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -156.13 96.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -46.66 -47.94 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.43 -63.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.551 ' O ' ' N ' ' A' ' 97' ' ' LEU . 20.5 mttt -65.14 -34.31 78.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' O ' ' OG1' ' A' ' 98' ' ' THR . 18.4 tttm -66.91 -8.57 30.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' ALA . 9.0 ttmt -119.53 -8.46 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.232 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.1 -22.08 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.813 ' O ' HMC1 ' A' ' 111' ' ' HEC . 19.8 mt -108.01 -47.56 3.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.537 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 29.9 p -108.43 16.76 22.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.89 147.68 50.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.48 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 9.9 m -85.92 -62.2 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -119.79 139.04 52.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 71.6 49.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.16 -171.22 2.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.455 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 5.6 mmtm -74.68 -27.98 60.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 70.8 m -86.07 -63.63 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 108.292 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -96.69 130.1 43.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.58 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.961 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.812 ' O2A' HG22 ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.054 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.842 ' C1D' HG21 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.629 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.629 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 18.2 Cg_endo -74.96 133.53 16.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 166.23 23.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.93 154.13 86.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.1 Cg_endo -75.02 165.1 32.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.69 -177.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.94 169.54 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.15 21.7 62.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.755 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.91 101.95 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 0.728 . . . . 0.0 109.36 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.657 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -112.0 148.23 34.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.1 114.58 21.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 6.1 tm-20 -110.02 68.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.07 -12.19 22.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.443 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 8.7 p -130.47 176.12 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -65.08 -10.95 34.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.39 95.85 44.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.96 34.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.74 HG21 ' C1D' ' A' ' 111' ' ' HEC . 89.1 t -145.68 153.55 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.657 HG22 ' CB ' ' A' ' 10' ' ' LYS . 50.5 t -117.63 114.53 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.603 ' HB3' HD13 ' A' ' 9' ' ' LEU . 52.7 t80 -99.8 163.85 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -144.67 136.65 25.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -92.69 -18.08 23.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.569 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.436 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 3.7 t -79.37 -2.23 40.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.461 HG21 ' CBA' ' A' ' 110' ' ' HEC . 24.6 m -106.15 -35.3 7.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 61.2 m80 -98.71 34.11 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 11.0 mtpt -67.97 -36.04 79.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.8 p -74.92 -13.81 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.1 t -87.9 142.96 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.74 139.81 47.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.1 m -62.32 -27.69 69.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.88 -1.2 90.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.502 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 20.7 t0 -84.37 -25.03 29.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.51 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.7 m -113.41 -55.37 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -76.64 55.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.455 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 27.0 p80 -40.36 148.61 0.33 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.99 123.69 8.07 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.535 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 94.6 t -110.39 114.91 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t-20 85.47 -8.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.22 0.65 33.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 142.31 40.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.746 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -106.62 133.23 51.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -150.38 170.75 18.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.734 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 18.4 m-30 -115.28 87.85 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.09 174.46 6.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.76 135.03 35.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.464 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.3 m -58.45 -49.64 76.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 108.324 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.66 51.67 3.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.74 131.87 41.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.92 107.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.14 -14.01 11.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.3 m -106.15 -93.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -105.95 68.94 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -130.26 75.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 t -110.78 -24.18 10.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.45 35.95 12.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.428 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -134.28 95.9 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.71 -44.5 96.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 53.83 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 56' ' ' ASP . 12.2 t70 -158.9 93.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -92.97 135.81 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.3 p 178.31 -67.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -177.2 -43.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -70.64 -7.35 43.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.64 91.92 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -50.31 -41.08 50.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.5 t80 -79.38 0.08 30.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.457 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.2 t60 -101.28 -15.04 17.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.742 HG12 ' C3A' ' A' ' 109' ' ' HEC . 1.5 m -103.47 7.93 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.245 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.3 mmt -115.78 -16.53 11.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 71' ' ' ASP . 5.8 m80 -132.62 -62.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.555 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -38.94 119.88 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.697 ' HD3' HG21 ' A' ' 84' ' ' VAL . 3.7 mttp -85.57 -38.97 17.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.19 79.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.455 ' HB ' ' CBA' ' A' ' 109' ' ' HEC . 40.6 p -143.5 155.62 44.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -24.14 67.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -118.85 158.61 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -66.3 128.09 34.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 p -97.17 161.19 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 59.0 m -48.66 -66.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.999 ' O ' HG23 ' A' ' 84' ' ' VAL . 77.1 t -63.82 -36.88 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.26 -58.75 9.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.46 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.7 t -63.49 -45.16 92.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.466 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 14.7 m170 -52.61 -44.15 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 80' ' ' VAL . 93.5 t -55.89 -37.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -34.33 62.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 82' ' ' CYS . 90.3 t -73.29 -53.65 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.1 77.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 54.31 -97.53 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.98 58.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.623 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 26.0 t0 -103.68 -19.66 14.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 90' ' ' ASP . . . 78.88 -76.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.61 -57.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 97' ' ' LEU . 5.7 mttp -65.22 -38.0 89.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -64.21 -10.2 21.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.91 -7.14 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.531 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -118.28 -0.05 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.808 ' O ' HMC1 ' A' ' 111' ' ' HEC . 16.0 mt -125.31 -49.19 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.571 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 17.9 p -110.86 10.81 22.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.09 150.11 46.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.598 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 5.6 m -88.77 -49.43 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -128.5 137.89 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 72.53 45.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.32 -172.49 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.612 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 10.5 mmtm -74.43 -29.77 61.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 57.0 m -85.94 -67.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 108.346 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -94.79 128.43 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.573 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.951 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.742 ' C3A' HG12 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.044 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.808 HMC1 ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.452 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -74.98 152.72 41.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.15 166.52 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.03 155.75 82.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.01 169.34 22.84 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.82 175.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.04 169.84 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.99 26.43 58.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.09 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.717 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.48 99.85 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.986 ' HB2' HG22 ' A' ' 19' ' ' VAL . 1.3 ttmp? -105.61 143.56 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.637 ' HE2' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -122.72 111.89 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.9 tm-20 -107.64 67.62 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' H ' ' CGD' ' A' ' 111' ' ' HEC . . . -96.71 -11.57 24.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.428 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 13.8 p -129.72 176.98 7.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -64.45 -11.64 35.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -125.85 102.21 28.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 159.92 40.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.9 HG21 ' C2D' ' A' ' 111' ' ' HEC . 55.0 t -140.97 148.57 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.986 HG22 ' HB2' ' A' ' 10' ' ' LYS . 48.5 t -114.54 117.44 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -107.09 161.41 14.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -139.33 141.42 37.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -96.03 -18.77 19.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -79.81 -1.33 38.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.957 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.404 ' CG2' ' O2A' ' A' ' 110' ' ' HEC . 26.4 m -106.07 -37.3 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -96.68 33.06 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -65.28 -38.54 90.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -11.98 60.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.955 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.5 140.19 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -71.26 139.3 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 m -61.74 -31.61 71.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.57 -4.27 80.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 12.5 t0 -79.09 -34.92 43.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.542 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 2.4 m -104.9 -54.84 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.279 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.61 56.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.621 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.454 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 27.6 p80 -43.38 149.33 0.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.557 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 134.91 18.4 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.555 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 99.5 t -129.87 109.8 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 10.2 t-20 87.17 -14.39 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.22 0.88 29.81 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.36 100.91 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.22 106.22 17.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 1.5 t0 -135.43 178.63 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.678 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 7.9 m-85 -108.93 125.74 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.482 ' HG3' ' CMC' ' A' ' 109' ' ' HEC . 0.0 OUTLIER -157.33 177.49 11.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.1 130.8 34.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.428 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.3 m -57.74 -46.06 84.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.62 51.9 3.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -94.65 131.78 40.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.384 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.82 105.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.32 -11.04 10.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.22 -93.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -105.86 66.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.69 74.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.1 p -102.02 -34.01 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.12 33.98 13.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' LYS . 5.3 t0 -103.5 -44.48 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.469 ' HE3' ' CGA' ' A' ' 111' ' ' HEC . 0.0 OUTLIER 68.27 -67.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -69.51 63.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' LYS . 4.5 m-20 -171.48 167.03 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -150.91 136.9 18.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.2 OUTLIER 177.86 -64.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' SER . . . -179.59 -46.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -65.06 -15.52 62.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.87 91.98 0.28 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -51.02 -39.47 55.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -80.38 -1.04 39.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.594 ' CE1' ' H2A' ' A' ' 109' ' ' HEC . 0.8 OUTLIER -100.43 -14.29 18.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.602 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.726 HG12 ' C3A' ' A' ' 109' ' ' HEC . 1.6 m -104.13 8.71 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.0 mmt -118.44 -9.04 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' ASP . 8.7 m80 -137.37 -62.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -37.58 126.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 -29.13 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -76.25 65.99 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.813 HG22 ' O2A' ' A' ' 109' ' ' HEC . 40.9 p -127.89 158.02 38.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.452 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -64.64 -24.67 67.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -121.16 154.65 35.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -62.26 126.29 26.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.31 161.32 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' HA ' ' CHC' ' A' ' 110' ' ' HEC . 59.8 m -45.24 -65.14 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.573 HG13 ' HB ' ' A' ' 98' ' ' THR . 77.9 t -63.43 -49.39 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -39.78 -58.21 2.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.443 ' O ' HG23 ' A' ' 86' ' ' VAL . 38.3 t -63.13 -47.81 81.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.519 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 15.1 m170 -51.71 -44.05 63.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.651 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 80' ' ' VAL . 55.8 t -55.37 -39.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -34.33 61.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.479 HG21 HMD3 ' A' ' 110' ' ' HEC . 98.7 t -72.17 -51.62 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 88' ' ' GLY . . . -64.66 -26.29 68.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . 37.25 -120.85 0.77 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.69 69.7 3.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 0.776 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.409 ' OD1' ' HB3' ' A' ' 92' ' ' ALA . 11.2 t70 -152.63 95.93 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -50.21 -56.04 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.409 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -39.31 -61.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 97' ' ' LEU . 28.9 mtmt -64.52 -37.06 86.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -10.4 25.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -117.97 -7.96 10.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 0.9 OUTLIER -115.34 -3.99 12.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.755 ' O ' HMC1 ' A' ' 111' ' ' HEC . 26.9 mt -124.24 -47.93 1.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.573 ' HB ' HG13 ' A' ' 80' ' ' VAL . 12.2 p -112.31 15.04 20.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.03 163.86 10.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.599 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 1.3 m -104.91 -41.21 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -138.16 140.0 39.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.7 40.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -172.07 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 12.4 mmtm -74.51 -29.8 61.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.5 m -84.85 -64.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 108.31 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -95.68 124.67 39.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.951 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.813 ' O2A' HG22 ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.035 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.9 ' C2D' HG21 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.672 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.672 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 18.3 Cg_endo -74.97 143.79 29.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -79.15 178.64 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.93 153.09 89.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.0 Cg_endo -75.03 174.66 12.41 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.55 159.94 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -80.94 173.13 12.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.1 29.22 62.91 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.712 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.8 98.25 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.991 ' HB2' HG22 ' A' ' 19' ' ' VAL . 2.0 ttpt -101.94 142.37 33.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.575 ' CE ' ' CGD' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -123.17 107.3 11.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 9.6 tm-20 -105.52 66.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.53 -13.03 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.635 HG23 ' O2D' ' A' ' 111' ' ' HEC . 72.2 p -132.02 178.04 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -15.55 60.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -119.33 96.39 49.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.33 41.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.654 HG21 ' C1D' ' A' ' 111' ' ' HEC . 68.8 t -139.6 153.51 23.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.991 HG22 ' HB2' ' A' ' 10' ' ' LYS . 40.5 t -119.72 115.61 48.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -107.51 137.99 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -120.79 117.38 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -67.05 -24.3 65.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.411 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -71.86 -5.04 31.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.691 HG21 ' CGA' ' A' ' 110' ' ' HEC . 34.0 m -103.64 -32.93 9.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 64.3 m80 -102.13 36.08 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 18.5 mtpt -68.86 -39.2 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.6 p -70.86 -14.61 62.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -88.12 143.0 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 145.27 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -65.48 -32.12 73.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.66 -4.69 76.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.505 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 13.1 t0 -80.65 -35.17 34.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.527 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 2.2 m -104.88 -55.39 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -77.08 66.66 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.849 ' CE1' HG22 ' A' ' 37' ' ' VAL . 32.6 p80 -55.91 148.31 38.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.654 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.849 HG22 ' CE1' ' A' ' 35' ' ' HIS . 59.2 t -84.82 91.55 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 64.94 -82.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.95 2.95 5.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.69 140.02 30.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.15 61.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -130.09 48.05 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.51 ' HB3' ' C4A' ' A' ' 108' ' ' HEC . 1.8 m-85 45.06 96.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 168.37 17.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.48 133.74 38.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.88 -52.02 66.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.56 53.02 2.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -98.01 132.71 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.398 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.65 111.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.29 -16.98 17.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.53 -94.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.407 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.6 m-70 -105.19 69.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.61 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -129.4 76.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -111.06 -22.11 11.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 44.13 36.54 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -138.27 86.98 2.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.585 ' CG ' ' CE1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -57.65 -61.88 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -71.19 65.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 5.9 t0 -149.17 -47.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER 87.13 -150.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.598 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.4 OUTLIER 72.8 170.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.34 -32.24 68.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -64.53 -19.45 65.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.57 90.01 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.402 ' O ' ' SD ' ' A' ' 69' ' ' MET . 56.3 t80 -50.43 -37.52 38.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 3.5 t80 -80.11 1.83 26.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -107.8 -2.81 19.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.558 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.712 HG12 ' C3A' ' A' ' 109' ' ' HEC . 1.5 m -112.05 5.64 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.742 ' HG2' HMD2 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -120.17 -7.74 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 71' ' ' ASP . 23.3 m80 -132.49 -63.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.62 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' HIS . 1.6 t70 -38.65 142.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.739 ' HE2' HG21 ' A' ' 84' ' ' VAL . 20.5 mttt -110.09 -27.89 8.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -77.92 61.04 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.834 HG22 ' O1A' ' A' ' 109' ' ' HEC . 57.1 p -123.24 154.74 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.19 -26.15 68.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 77.8 m-85 -115.44 155.83 26.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -63.53 123.47 18.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.1 160.17 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.9 m -49.45 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 108.328 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.998 ' O ' HG23 ' A' ' 84' ' ' VAL . 90.5 t -63.52 -36.98 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.41 -59.73 8.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.507 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.7 t -63.29 -44.95 93.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.596 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 13.6 m170 -53.02 -44.52 67.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 80' ' ' VAL . 80.9 t -56.88 -37.22 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -34.06 62.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 82' ' ' CYS . 99.6 t -73.5 -53.75 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.3 -32.52 74.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.46 -101.61 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.36 62.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 27.0 t70 -112.97 -8.27 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 68.32 -74.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -41.13 -58.4 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' LEU . 2.2 mttp -64.57 -32.16 73.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -67.99 -9.12 43.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -125.01 -5.05 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.89 -23.0 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.539 ' O ' HMC1 ' A' ' 111' ' ' HEC . 43.6 mt -109.27 -30.29 8.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.632 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 21.1 p -127.55 21.36 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.453 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.18 144.48 34.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.594 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 8.8 m -83.43 -52.48 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -126.97 132.85 50.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 77.07 51.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.68 -173.6 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -74.62 -30.06 61.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 85.7 m -83.66 -63.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -102.12 145.34 29.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.935 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.834 ' O1A' HG22 ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.042 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.75 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.548 ' HD2' ' CE2' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -74.98 -169.1 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.83 166.88 11.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.91 149.49 96.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.532 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.04 165.13 31.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.571 1.827 . . . . 0.0 111.03 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.59 162.99 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -81.99 164.23 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.21 25.28 34.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.855 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -75.17 92.1 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.943 ' HB2' HG22 ' A' ' 19' ' ' VAL . 10.5 tttm -92.39 146.11 23.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.444 ' HB3' ' H2D' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -132.15 104.03 6.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 1.7 tm-20 -103.95 65.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.573 ' HB3' ' O1D' ' A' ' 111' ' ' HEC . . . -85.67 -15.51 42.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.599 HG23 ' CGD' ' A' ' 111' ' ' HEC . 3.7 p -127.94 179.88 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -64.54 -11.44 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.78 101.77 39.13 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.86 38.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.785 HG21 ' C2D' ' A' ' 111' ' ' HEC . 59.4 t -144.63 152.46 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.943 HG22 ' HB2' ' A' ' 10' ' ' LYS . 51.1 t -123.38 113.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.636 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 59.3 t80 -100.1 173.85 6.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -147.11 139.83 24.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -96.29 -14.05 22.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.59 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 p -85.24 -4.51 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.972 HG21 HBA1 ' A' ' 110' ' ' HEC . 30.6 m -103.79 -32.99 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.636 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 60.5 m80 -100.13 34.87 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.609 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -68.07 -36.67 80.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -12.57 60.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 t -87.36 141.37 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.0 133.77 45.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 m -57.14 -30.87 64.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 108.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.63 -4.06 87.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 10.9 t0 -79.25 -30.25 43.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.7 m -108.48 -53.95 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -78.23 54.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 33.5 p80 -42.11 149.45 0.43 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.632 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 124.34 8.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.572 ' CG2' ' CE1' ' A' ' 35' ' ' HIS . 61.5 t -115.69 118.64 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 21.9 t30 83.56 -3.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.82 -3.03 52.47 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -104.82 145.28 30.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.58 126.49 54.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.58 167.16 26.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.791 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 17.0 m-30 -106.07 89.91 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 172.18 8.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.69 136.32 35.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.424 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.5 m -58.66 -50.43 73.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 108.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.48 51.61 3.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -94.55 131.77 39.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 110.436 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.73 105.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.01 -10.51 11.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m -108.77 -94.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.431 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.0 m-70 -105.02 68.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.559 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -131.27 74.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.4 p -113.35 -34.62 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.73 33.02 15.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -116.02 68.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.424 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -41.38 -51.75 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -93.35 86.24 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -160.56 -59.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt 62.85 131.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.27 -66.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' HAD1 ' A' ' 109' ' ' HEC . . . -176.71 -51.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -65.32 -16.67 63.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.05 93.59 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -53.15 -39.87 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.747 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -81.26 1.06 34.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.574 ' CE1' ' H2A' ' A' ' 109' ' ' HEC . 1.4 t60 -100.54 -24.03 14.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.696 HG12 ' C3A' ' A' ' 109' ' ' HEC . 3.0 m -94.31 8.64 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.9 mmt -118.18 -12.44 10.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.2 m80 -134.54 -62.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.625 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.8 OUTLIER -37.93 119.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -26.1 20.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -79.62 71.1 6.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.802 HG22 ' O2A' ' A' ' 109' ' ' HEC . 40.6 p -132.89 159.01 41.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -65.45 -25.65 67.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -118.59 156.95 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -63.61 127.16 30.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 p -98.48 160.95 13.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.4 m -47.38 -67.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 108.326 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.994 ' O ' HG23 ' A' ' 84' ' ' VAL . 72.2 t -63.9 -35.21 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.78 -58.99 9.86 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.501 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.9 t -63.78 -44.39 93.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.427 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 13.6 m170 -53.14 -44.49 67.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.994 HG23 ' O ' ' A' ' 80' ' ' VAL . 76.3 t -56.76 -37.42 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -33.89 62.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 82' ' ' CYS . 83.6 t -74.71 -55.35 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.43 92.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.88 -120.41 1.06 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.095 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.37 60.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -111.3 -17.68 13.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.682 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . 61.31 146.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 83.78 -50.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 97' ' ' LEU . 16.2 mmtt -67.0 -44.85 79.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.449 ' CG ' ' OG1' ' A' ' 98' ' ' THR . 8.3 ttpt -64.34 -10.77 26.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.82 -14.8 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -121.13 4.52 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.767 ' O ' HMC1 ' A' ' 111' ' ' HEC . 14.4 mt -123.8 -47.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.585 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 22.4 p -115.54 6.84 14.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.29 141.43 46.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.599 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 15.4 m -78.78 -49.81 12.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -124.65 142.73 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt 67.92 48.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 p -122.19 -175.16 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 4.0 mmtt -74.84 -28.24 60.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.9 m -85.44 -69.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.287 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -92.83 139.23 30.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.549 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.993 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.974 ' CGD' HMD1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.046 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.785 ' C2D' HG21 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 18.2 Cg_endo -75.07 140.48 25.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -75.43 170.52 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.7 155.32 89.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.02 169.25 23.02 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.56 177.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.68 173.06 7.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.96 23.69 68.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.32 100.6 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.664 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -109.82 153.74 23.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.558 ' HE2' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -129.23 116.98 19.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 4.8 tm-20 -110.42 67.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.1 -14.59 22.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.434 ' N ' ' O2D' ' A' ' 111' ' ' HEC . 14.3 p -126.57 177.35 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -65.27 -11.25 39.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.95 100.84 33.08 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.31 39.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.564 1.823 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.847 HG21 ' C2D' ' A' ' 111' ' ' HEC . 82.8 t -141.87 154.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.664 HG22 ' CB ' ' A' ' 10' ' ' LYS . 47.7 t -120.32 114.76 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.558 ' HB3' HD13 ' A' ' 9' ' ' LEU . 62.1 t80 -101.41 163.36 12.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -142.97 139.25 30.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.307 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -94.96 -20.74 19.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.44 ' HA ' ' CD ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -76.79 -1.23 27.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.039 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 m -106.33 -36.7 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.398 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.529 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 56.5 m80 -97.38 33.49 1.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 19.7 mtpt -66.95 -36.56 82.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.6 p -74.85 -15.27 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -86.6 143.56 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.32 139.59 46.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 m -62.09 -29.63 70.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 108.368 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.15 -2.79 87.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.485 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 21.5 t0 -81.11 -33.57 33.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.647 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 2.2 m -105.06 -55.72 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 108.298 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.49 58.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' HE1' HG22 ' A' ' 37' ' ' VAL . 25.7 p80 -42.66 149.01 0.5 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.589 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.04 109.56 2.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG22 ' HE1' ' A' ' 35' ' ' HIS . 24.8 t -84.78 97.74 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m120 61.45 44.32 9.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.92 -0.16 67.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 12.3 mttm -87.43 112.59 22.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.44 91.82 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.43 169.5 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.637 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 18.5 m-30 -103.08 91.29 4.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -123.28 174.91 7.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 134.4 34.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.3 m -58.59 -48.2 81.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.35 51.08 3.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.58 132.05 41.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.756 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.64 109.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.41 -13.68 15.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.1 m -104.85 -91.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -109.17 69.8 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -131.88 76.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 t -106.78 -28.37 10.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.29 35.25 19.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -136.5 76.86 1.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -42.99 -45.59 5.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -81.96 59.76 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -162.18 97.44 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.53 142.75 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.573 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 5.9 t 169.47 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 61' ' ' SER . . . 171.74 -39.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -72.39 -6.11 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.65 93.66 1.26 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -51.97 -41.06 61.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 0.807 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -79.93 -0.48 35.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 1.4 t60 -99.32 -22.48 15.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.63 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.3 m -96.05 9.4 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.5 mmt -118.58 -11.89 9.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 71' ' ' ASP . 6.9 m80 -136.25 -63.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -36.38 134.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.685 ' HD2' HG21 ' A' ' 84' ' ' VAL . 1.1 mtpm? -94.17 -43.57 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.93 82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.512 ' HA ' ' CGA' ' A' ' 109' ' ' HEC . 64.1 p -145.03 149.75 35.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -22.55 67.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 60.0 m-85 -119.17 157.82 27.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -67.07 128.23 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.99 162.09 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.6 m -48.79 -66.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 108.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.947 ' O ' HG23 ' A' ' 84' ' ' VAL . 70.6 t -63.65 -36.36 76.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.22 -59.3 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.511 ' O ' HG23 ' A' ' 86' ' ' VAL . 48.1 t -63.43 -45.69 89.76 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.422 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 12.3 m170 -52.92 -44.06 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.591 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.0 t -57.1 -37.58 56.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -34.27 61.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 82' ' ' CYS . 94.5 t -73.5 -53.98 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.77 85.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.41 -108.62 1.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.55 17.27 18.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.88 84.52 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -47.63 -48.77 28.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -45.07 -27.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 97' ' ' LEU . 2.8 mmtp -102.38 -40.01 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -64.33 -9.5 18.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -100.9 -19.31 15.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.455 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -113.74 1.39 14.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.797 ' O ' HMC1 ' A' ' 111' ' ' HEC . 13.3 mt -122.89 -52.35 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.55 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 21.3 p -109.88 10.84 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.07 147.54 50.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.548 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 11.3 m -84.12 -39.38 19.55 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -136.63 149.35 47.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.01 37.57 9.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.12 -172.57 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.935 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 14.7 mmtt -74.6 -28.52 60.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 11.5 m -89.28 -66.99 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -94.7 146.58 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.931 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.739 HMB1 HBB3 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.036 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.847 ' C2D' HG21 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.473 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 18.1 Cg_endo -75.03 -1.06 10.74 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.502 ' C ' HMB2 ' A' ' 108' ' ' HEC . 0.0 OUTLIER 40.07 -158.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.67 153.26 50.03 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -74.99 177.83 8.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.86 -179.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.99 169.12 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.09 26.14 56.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.731 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -74.49 98.87 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 1.015 ' HB2' HG22 ' A' ' 19' ' ' VAL . 3.2 ttpt -104.99 145.89 29.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.802 ' HE2' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -124.16 103.75 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.3 tm-20 -101.92 65.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.28 -13.35 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.607 HG23 ' O1D' ' A' ' 111' ' ' HEC . 70.0 p -131.67 177.32 7.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -63.9 -14.91 57.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.27 97.69 50.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.27 42.41 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.556 1.819 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.701 HG21 ' C1D' ' A' ' 111' ' ' HEC . 61.7 t -141.5 146.34 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.015 HG22 ' HB2' ' A' ' 10' ' ' LYS . 46.0 t -113.14 115.42 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.534 ' HB3' HD13 ' A' ' 9' ' ' LEU . 81.8 t80 -104.9 162.81 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -141.42 145.78 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -97.53 -24.96 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.597 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 m -73.0 -4.32 31.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.451 HG21 HBA2 ' A' ' 110' ' ' HEC . 46.7 m -104.05 -32.66 9.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.423 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.493 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 65.6 m80 -101.44 35.23 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -67.79 -43.76 78.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.1 p -66.95 -14.07 62.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -87.87 142.79 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -75.04 141.83 43.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.98 -32.9 74.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.358 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.56 -2.85 76.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.494 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 16.9 t0 -82.62 -31.98 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.619 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.6 m -106.49 -56.16 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.246 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -76.14 59.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.51 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 28.5 p80 -44.28 149.38 0.73 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 128.08 11.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.51 ' CG2' ' CE1' ' A' ' 35' ' ' HIS . 81.0 t -118.25 118.78 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 20.2 t30 82.23 -1.68 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.52 -2.39 53.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -103.51 153.17 20.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.78 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.9 121.11 33.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -147.45 156.65 43.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.592 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 14.1 m-85 -90.79 97.86 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 172.36 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.07 135.6 33.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.447 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.6 m -57.22 -49.94 74.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.24 51.9 3.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -93.25 131.81 38.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.11 103.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.97 -8.37 10.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.5 m -109.3 -95.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -103.53 74.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.605 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -132.2 79.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.1 p -108.63 -27.35 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 40.4 35.62 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -109.27 -42.04 4.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.37 -65.04 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.7 mmtp -72.26 63.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' SER . 30.5 p-10 -173.7 54.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' ASP . 16.3 mmtt -40.12 97.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.593 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 14.1 p -152.38 172.98 15.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB1' HAD1 ' A' ' 109' ' ' HEC . . . -54.48 -48.98 71.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -64.98 -19.91 66.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.16 88.65 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.25 -36.93 44.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.1 t80 -80.64 -2.88 48.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 61' ' ' SER . 1.0 OUTLIER -99.55 -18.37 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.565 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.629 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.7 m -97.48 9.2 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.481 ' O ' HG23 ' A' ' 80' ' ' VAL . 11.4 mmt -119.79 -8.83 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.0 m80 -136.7 -62.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.7 t70 -38.49 140.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.769 ' HD3' HG21 ' A' ' 84' ' ' VAL . 7.8 mttm -105.78 -33.99 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -69.01 66.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.691 HG22 ' O2A' ' A' ' 109' ' ' HEC . 63.0 p -130.63 152.06 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -64.37 -26.32 68.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -114.46 155.97 25.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 126.17 27.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 p -98.83 155.68 17.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' SG ' ' SD ' ' A' ' 69' ' ' MET . 55.5 m -42.69 -66.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.331 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.986 ' O ' HG23 ' A' ' 84' ' ' VAL . 92.7 t -63.46 -37.84 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.94 -59.77 7.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.519 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.6 t -63.61 -45.01 92.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.505 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 14.5 m170 -53.06 -44.54 67.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.58 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 80' ' ' VAL . 72.5 t -56.15 -36.37 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -34.12 59.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 82' ' ' CYS . 59.3 t -74.53 -54.25 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 88' ' ' GLY . . . -64.59 -20.81 66.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . 35.91 -128.83 0.87 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.22 73.15 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.673 ' OD1' ' HB3' ' A' ' 92' ' ' ALA . 14.1 t0 -153.05 89.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -42.01 -50.34 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.673 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -43.38 -62.85 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -65.1 -32.25 73.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -1.39 20.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -119.01 -4.12 10.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.62 -40.12 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.565 HD11 HBD1 ' A' ' 110' ' ' HEC . 20.5 mt -87.87 -30.84 19.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.604 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 23.5 p -128.18 14.28 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.6 152.68 51.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.764 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 1.3 m -90.65 -56.33 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 139.81 53.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 69.48 47.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.7 -172.46 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -74.86 -30.21 61.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 82.3 m -84.02 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -96.74 143.07 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.937 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 1.025 ' CGD' HMD1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.041 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.802 HMD1 ' HE2' ' A' ' 11' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.566 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 18.1 Cg_endo -75.08 -175.74 2.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -88.75 160.41 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.09 154.5 86.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -75.05 167.01 27.94 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.779 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.83 -179.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.72 178.72 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.15 26.65 73.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.685 HD11 HBD1 ' A' ' 108' ' ' HEC . 0.3 OUTLIER -74.89 97.4 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.945 ' HB2' HG22 ' A' ' 19' ' ' VAL . 13.0 ttpp -101.48 144.58 30.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.955 ' SD ' HMD1 ' A' ' 111' ' ' HEC . 1.4 ptp -120.79 106.35 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 4.1 tm-20 -105.03 68.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.415 ' H ' ' CGD' ' A' ' 111' ' ' HEC . . . -98.87 -11.42 21.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.52 HG23 ' O2D' ' A' ' 111' ' ' HEC . 71.7 p -132.22 176.5 8.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -64.07 -14.19 52.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' HBD2 ' A' ' 111' ' ' HEC . 0.8 OUTLIER -120.78 97.97 48.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 161.98 37.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.627 HG21 ' C1D' ' A' ' 111' ' ' HEC . 69.5 t -144.06 153.08 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.945 HG22 ' HB2' ' A' ' 10' ' ' LYS . 53.3 t -117.72 117.58 55.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -106.9 165.1 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -141.16 148.9 40.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -102.31 -18.69 15.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.552 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -80.62 -3.53 50.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.652 HG21 HBA2 ' A' ' 110' ' ' HEC . 23.0 m -102.68 -33.02 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.483 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 63.9 m80 -100.88 35.68 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.537 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -67.06 -43.26 83.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.4 p -69.13 -12.84 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.7 t -87.29 139.49 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.61 134.5 46.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 m -57.46 -29.21 64.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.43 -4.0 88.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 16.7 t0 -79.49 -33.5 42.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 0.798 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.582 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.8 m -104.84 -55.12 2.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' HIS . 94.2 m-70 -76.15 56.81 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.404 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 20.6 p80 -39.64 148.07 0.31 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.99 119.69 5.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 46.2 t -102.75 114.36 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.9 t30 82.48 -5.56 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.85 0.63 34.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -108.11 144.31 35.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.3 136.47 43.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.51 164.06 35.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CD2' ' HD2' ' A' ' 2' ' ' PRO . 13.5 m-30 -120.34 79.91 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.06 -179.37 3.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.41 1.069 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -81.81 135.92 35.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 m -60.93 -48.85 79.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.284 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.25 52.84 2.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.15 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -96.73 132.72 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.85 108.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.81 -13.35 13.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.1 m -105.29 -95.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.438 ' CE1' HG11 ' A' ' 68' ' ' VAL . 95.9 m-70 -103.78 68.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.619 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -131.23 77.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.6 p -112.17 -26.15 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.8 34.97 20.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.412 ' CB ' ' HB2' ' A' ' 59' ' ' ASP . 58.4 m-20 -130.52 76.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.522 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -40.15 -57.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 66.73 5.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 15.0 t0 -141.27 -56.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.7 OUTLIER 66.08 -145.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER 84.5 -70.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.033 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.71 -46.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -64.97 -12.13 46.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -68.73 92.55 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.417 ' OH ' ' SD ' ' A' ' 11' ' ' MET . 83.3 t80 -53.39 -37.11 62.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -86.02 0.79 52.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.534 ' CE1' HG22 ' A' ' 74' ' ' THR . 1.1 t60 -99.41 -28.77 13.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.674 HG12 ' C3A' ' A' ' 109' ' ' HEC . 3.2 m -88.26 9.74 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.9 mmt -118.96 -12.21 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.3 m80 -135.11 -60.74 0.76 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.3 t70 -37.84 128.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.786 ' HD3' HG21 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -99.47 -27.06 13.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -77.95 63.06 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.534 HG22 ' CE1' ' A' ' 67' ' ' HIS . 42.6 p -125.95 156.26 40.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.441 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -64.95 -24.57 67.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -117.28 158.78 23.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -66.26 124.36 22.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 p -96.64 157.67 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 57.3 m -43.55 -67.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 108.252 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.008 ' O ' HG23 ' A' ' 84' ' ' VAL . 96.1 t -63.8 -39.05 84.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.71 -58.93 7.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.466 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.5 t -63.42 -45.26 91.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.441 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 12.7 m170 -52.77 -43.79 66.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.536 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.008 HG23 ' O ' ' A' ' 80' ' ' VAL . 90.1 t -56.65 -37.57 53.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -34.23 62.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.529 HG21 HMD3 ' A' ' 110' ' ' HEC . 66.0 t -75.1 -55.66 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.55 94.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 39.86 -135.02 1.93 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -98.59 58.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -109.28 -19.08 13.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.652 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . 60.36 150.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 81.92 -52.14 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 97' ' ' LEU . 33.5 mttt -68.11 -41.9 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -10.94 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.47 -14.14 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.528 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -122.77 5.31 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.679 ' O ' HMC1 ' A' ' 111' ' ' HEC . 13.3 mt -123.53 -45.39 2.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.603 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 15.5 p -120.13 6.86 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.89 151.75 29.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.658 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 1.3 m -91.25 -44.95 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -129.28 140.46 51.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.93 50.04 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.27 -174.77 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 1.5 mmmt -75.3 -30.06 60.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.2 m -83.5 -65.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 108.295 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -95.59 133.17 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.951 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.773 HMB1 HBB3 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.048 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.955 HMD1 ' SD ' ' A' ' 11' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 142.74 28.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -77.85 164.57 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.74 154.95 84.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.416 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -75.06 161.87 37.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.18 -170.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -101.9 169.85 8.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.75 11.17 66.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.797 HD13 ' O ' ' A' ' 9' ' ' LEU . 1.6 tm? -74.68 96.16 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.962 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -107.36 159.72 16.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.579 ' HE1' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -111.38 131.61 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.1 tm-20 -128.87 63.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.35 -17.28 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.455 HG23 ' O1D' ' A' ' 111' ' ' HEC . 10.4 p -127.68 177.64 6.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -70.47 -6.51 36.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.14 89.65 47.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.447 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 175.88 10.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.495 HG21 ' C1D' ' A' ' 111' ' ' HEC . 79.6 t -155.21 146.66 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.962 HG22 ' HB3' ' A' ' 10' ' ' LYS . 76.7 t -105.77 116.24 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -99.82 172.71 7.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -151.23 144.82 24.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -99.79 -22.51 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.567 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.8 -3.06 32.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.65 HG21 HBA1 ' A' ' 110' ' ' HEC . 45.3 m -104.67 -34.12 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.366 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.491 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 62.5 m80 -100.06 34.91 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.616 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -66.95 -44.44 80.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.8 p -67.07 -15.86 63.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 t -85.02 141.03 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.24 139.13 47.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -61.51 -34.33 75.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.82 -2.18 69.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 15.2 t0 -82.01 -32.38 30.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.566 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.6 m -105.51 -55.23 2.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -76.26 61.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -47.26 149.19 1.87 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.579 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.31 12.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 49.9 t -114.6 112.81 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 9.4 t-20 84.02 -4.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.75 0.05 42.4 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.94 136.71 46.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.49 144.93 32.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.243 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -168.19 167.03 12.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.723 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 17.3 m-30 -104.06 94.83 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.62 176.42 6.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.76 134.77 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.46 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.4 m -58.17 -49.57 76.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.09 51.54 3.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -93.25 131.4 38.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.359 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.68 103.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.89 -8.6 10.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 84.7 m -108.49 -94.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -105.35 75.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.625 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -134.25 76.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.54 -40.33 6.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.49 34.49 23.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.54 -34.0 5.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.509 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 6.8 tmtt? 70.53 -61.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 66.23 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -144.26 -52.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.1 mttm 69.27 -119.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.9 t 65.47 -74.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -177.47 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -64.96 -21.13 66.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.06 98.57 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -58.24 -40.3 81.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 0.733 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -77.92 -1.42 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.3 t60 -98.92 -23.4 15.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.65 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.8 m -94.59 8.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.492 ' O ' HG23 ' A' ' 80' ' ' VAL . 11.8 mmt -117.81 -13.55 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' ASP . 14.7 m80 -131.61 -63.02 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.3 t70 -38.53 139.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.573 ' HD3' HG21 ' A' ' 84' ' ' VAL . 27.1 mttp -106.92 -33.87 7.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -69.79 63.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.822 HG22 ' O1A' ' A' ' 109' ' ' HEC . 57.5 p -125.96 154.79 42.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 110.434 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -25.49 68.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -117.14 156.19 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 126.2 26.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.7 p -99.39 158.24 15.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.401 ' SG ' ' SD ' ' A' ' 69' ' ' MET . 42.5 m -44.68 -66.96 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 108.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.938 ' O ' HG23 ' A' ' 84' ' ' VAL . 96.9 t -63.21 -36.21 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.6 -60.14 8.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.55 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.9 t -63.89 -44.65 92.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.517 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 14.1 m170 -53.11 -44.6 67.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 80' ' ' VAL . 72.6 t -57.44 -37.91 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -34.56 62.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 82' ' ' CYS . 95.1 t -73.24 -53.06 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 93' ' ' LYS . . . -64.59 -22.38 66.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . 36.91 -118.57 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -100.48 74.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 0.755 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 91' ' ' ALA . 37.4 t0 -155.06 91.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -39.93 -53.36 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.45 -64.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 87' ' ' ALA . 35.2 mtmt -64.48 -32.39 74.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -7.64 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -125.14 -4.26 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.54 -28.69 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.547 HD11 HBD1 ' A' ' 110' ' ' HEC . 40.7 mt -104.65 -29.28 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.591 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 26.2 p -127.45 20.57 6.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.429 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.89 144.09 34.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.456 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 26.9 m -82.16 -58.85 2.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -121.46 143.78 49.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.9 49.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.2 -173.34 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -75.61 -28.42 58.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 89.6 m -83.71 -62.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -100.71 141.93 32.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.654 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.95 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.997 ' CGD' HMD1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.041 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.787 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 158.7 41.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.22 177.11 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.79 151.61 94.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.519 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -74.98 169.18 23.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.92 -179.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.27 179.86 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.48 15.73 80.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 9' ' ' LEU . 1.7 tm? -77.27 96.93 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.921 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -106.43 162.67 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.527 ' HE2' ' O2D' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -115.93 130.16 56.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 1.9 tm-20 -127.92 63.83 1.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.58 -18.49 14.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 p -125.34 -179.19 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -73.32 -4.56 34.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -132.03 90.9 34.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.455 ' O ' HG23 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.02 176.22 10.2 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.543 HG21 ' C1D' ' A' ' 111' ' ' HEC . 78.8 t -155.3 146.59 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.921 HG22 ' HB3' ' A' ' 10' ' ' LYS . 71.8 t -106.61 117.3 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.437 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 29.5 t80 -95.97 178.34 5.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 20' ' ' PHE . 23.8 m-80 -162.54 120.36 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -77.92 -19.65 54.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.587 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 t -76.66 -0.53 23.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.904 HG21 ' CGA' ' A' ' 110' ' ' HEC . 22.4 m -108.06 -31.46 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.483 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 64.5 m80 -103.01 36.33 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -66.93 -42.9 84.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.8 p -69.3 -13.79 62.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.4 t -87.04 142.27 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 144.92 43.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -65.71 -31.77 72.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.92 -2.8 83.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 13.9 t0 -80.57 -34.92 34.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.674 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 3.6 m -104.92 -55.29 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 108.34 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -74.87 58.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 23.3 p80 -43.18 148.95 0.57 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.629 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.01 136.48 20.43 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 76.7 t -127.85 116.8 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 20.6 t30 82.18 -2.34 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.72 -0.08 52.51 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -106.32 145.49 31.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -119.16 120.45 37.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.29 170.16 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.699 ' CZ ' HMB3 ' A' ' 108' ' ' HEC . 18.1 m-85 -106.68 93.3 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -127.79 156.0 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.51 134.93 54.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.8 -48.38 81.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.49 52.04 3.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.14 131.76 43.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.64 109.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.31 -15.34 11.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.3 m -105.15 -90.93 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -108.26 63.22 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.635 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -120.3 60.38 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.7 t -92.2 -48.66 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.28 35.03 15.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 111.042 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' LYS . 77.7 m-20 -99.91 -38.6 8.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.44 -74.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -81.81 70.16 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.89 -61.97 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 67.37 124.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.17 -63.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.512 ' HB1' HAD1 ' A' ' 109' ' ' HEC . . . -177.94 -52.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -19.29 65.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.95 95.27 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -51.92 -45.33 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.2 t80 -75.02 -0.56 19.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.63 ' CE1' ' H2A' ' A' ' 109' ' ' HEC . 0.7 OUTLIER -100.26 -16.07 17.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.67 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.4 m -104.28 8.23 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.4 mmt -116.72 -14.4 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' ASP . 10.9 m80 -132.31 -63.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.63 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -37.97 124.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.92 -33.04 13.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -70.53 63.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.804 HG22 ' O2A' ' A' ' 109' ' ' HEC . 45.7 p -125.93 156.14 40.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -23.88 67.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -120.14 156.51 30.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.71 126.74 28.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 p -99.46 162.01 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.1 m -46.98 -67.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 84' ' ' VAL . 80.7 t -63.63 -36.72 77.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.38 -58.53 9.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.48 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.6 t -63.83 -44.79 92.17 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.491 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 14.5 m170 -52.94 -44.24 66.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 80' ' ' VAL . 94.5 t -56.64 -37.92 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -33.94 63.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 82' ' ' CYS . 93.0 t -73.7 -52.03 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB3' ' HG3' ' A' ' 94' ' ' LYS . . . -69.91 -7.73 42.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . -36.87 121.2 0.72 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 56.55 66.65 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 8.3 t70 -156.01 -47.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 90' ' ' ASP . . . 73.94 -71.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.65 -41.21 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 97' ' ' LEU . 8.8 mmpt? -69.16 -39.01 79.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HG3' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -65.68 -8.85 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.07 -14.48 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.557 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -123.68 4.19 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.804 ' O ' HMC1 ' A' ' 111' ' ' HEC . 20.8 mt -126.59 -50.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.591 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 24.7 p -111.51 6.21 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.1 146.66 35.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.58 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 4.4 m -85.99 -53.18 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -129.55 133.3 47.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER 82.07 41.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.87 -172.68 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 8.4 mmtm -74.7 -28.17 60.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 72.9 m -84.58 -65.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.285 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -99.92 129.47 46.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.589 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.956 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.804 ' O2A' HG22 ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.051 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.804 HMC1 ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.411 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.622 ' CD ' ' CD2' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.97 -77.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.28 140.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.7 142.36 98.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 160.0 40.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.83 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -88.7 169.26 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.91 16.65 62.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.767 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.79 103.44 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.645 ' CB ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -110.86 156.71 20.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.409 ' O ' ' CGD' ' A' ' 111' ' ' HEC . 0.0 OUTLIER -129.68 112.14 13.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 3.6 tm-20 -107.35 66.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.88 -13.48 22.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.413 ' N ' ' O1D' ' A' ' 111' ' ' HEC . 13.3 p -128.28 176.6 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -64.93 -11.44 38.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -124.25 99.8 36.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.32 35.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.772 HG21 ' C1D' ' A' ' 111' ' ' HEC . 76.3 t -145.3 152.74 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.645 HG22 ' CB ' ' A' ' 10' ' ' LYS . 43.7 t -118.8 115.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' HB3' HD13 ' A' ' 9' ' ' LEU . 35.2 t80 -96.01 176.07 6.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -152.74 140.95 20.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -101.46 -19.95 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.61 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.75 -4.19 53.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.428 HG21 ' O1A' ' A' ' 110' ' ' HEC . 24.4 m -103.68 -33.51 8.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CD2' HBC2 ' A' ' 108' ' ' HEC . 60.3 m80 -99.26 34.49 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.651 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -67.15 -39.06 86.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.1 p -72.92 -12.07 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.1 t -89.16 139.14 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.01 138.72 54.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.4 m -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.24 -0.46 89.75 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.497 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 27.0 t0 -82.13 -25.85 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.614 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.7 m -112.96 -55.05 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 108.316 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -75.22 61.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 23.0 p80 -45.22 148.06 1.16 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -74.96 118.76 5.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.758 HG21 HBC2 ' A' ' 109' ' ' HEC . 48.2 t -84.53 -72.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.86 38.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.53 1.06 60.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 126.37 51.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.05 85.76 2.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -80.07 162.32 24.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.622 ' CD2' ' CD ' ' A' ' 2' ' ' PRO . 64.9 m-85 -118.2 85.03 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 176.16 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' HMC3 ' A' ' 109' ' ' HEC . 0.0 OUTLIER -78.23 141.2 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.414 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 2.7 m -64.47 -54.64 29.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.39 54.45 1.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.157 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.17 139.63 38.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.71 123.94 14.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.0 -25.88 24.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.2 m -95.12 -108.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 98.8 m-70 -93.63 70.96 4.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.37 18.14 20.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 7.7 t -81.48 103.62 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.28 35.51 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -106.23 59.78 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.436 ' HG3' ' CD2' ' A' ' 66' ' ' TYR . 2.4 tttt -41.39 -36.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -94.93 66.66 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -156.34 -46.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.152 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.45 100.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -164.72 169.08 17.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.522 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -50.92 -52.03 46.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 11.0 mttm -64.38 -24.07 67.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.12 89.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -49.28 -43.33 43.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 3.5 t80 -77.65 0.57 22.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 61' ' ' SER . 1.9 t60 -103.83 -11.46 17.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.682 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.3 m -107.66 8.07 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.484 ' O ' HG23 ' A' ' 80' ' ' VAL . 8.4 mmt -118.69 -10.48 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' ASP . 11.4 m80 -134.93 -61.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.8 OUTLIER -38.89 137.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.547 ' HD3' HG21 ' A' ' 84' ' ' VAL . 11.4 mttt -104.67 -34.45 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -69.54 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.824 HG22 ' O1A' ' A' ' 109' ' ' HEC . 62.1 p -127.02 153.38 46.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HE3' ' CZ ' ' A' ' 76' ' ' PHE . 22.0 ttpt -64.75 -24.76 67.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 57.8 m-85 -116.47 157.61 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -65.31 125.71 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 p -99.08 155.71 17.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.3 m -43.44 -66.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.934 ' O ' HG23 ' A' ' 84' ' ' VAL . 93.1 t -63.22 -35.82 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.79 -60.32 8.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.507 ' O ' HG23 ' A' ' 86' ' ' VAL . 44.0 t -63.89 -45.06 91.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.432 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 11.5 m170 -52.9 -44.41 66.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 80' ' ' VAL . 54.3 t -56.23 -38.29 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -34.27 62.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 82' ' ' CYS . 94.0 t -73.06 -53.51 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.86 -34.14 77.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.86 -110.24 0.91 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.22 62.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.642 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 12.3 t70 -109.2 -22.53 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 90' ' ' ASP . . . 80.56 -77.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.62 -53.7 2.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -68.8 -35.5 77.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -64.42 -10.73 26.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.05 -7.68 10.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -112.7 -8.43 13.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.648 ' O ' HMC1 ' A' ' 111' ' ' HEC . 16.0 mt -120.24 -43.01 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.557 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 18.7 p -117.93 19.47 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.21 156.24 45.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.58 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 1.3 m -97.36 -44.72 6.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.69 140.91 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 mttp 66.85 46.65 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.47 -173.43 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 9.9 mmtm -74.73 -30.09 61.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 64.3 m -82.74 -64.11 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -96.08 145.55 25.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.959 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.946 ' CGD' HMD1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.038 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.833 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 1' ' ' ALA . 18.4 Cg_endo -75.02 143.24 28.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -75.41 158.48 32.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.4 152.21 89.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.48 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.1 Cg_endo -74.99 155.02 42.93 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.92 177.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -88.92 163.61 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.03 17.19 35.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.803 HD11 HBD1 ' A' ' 108' ' ' HEC . 0.7 OUTLIER -74.24 93.62 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.781 ' HB2' HG22 ' A' ' 19' ' ' VAL . 1.2 tttp -89.12 147.27 24.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.516 ' CE ' ' CGD' ' A' ' 108' ' ' HEC . 25.2 mtp -115.9 94.58 4.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 8.3 tm-20 -103.01 65.0 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.62 -13.69 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.445 ' N ' ' O2D' ' A' ' 111' ' ' HEC . 11.9 p -129.55 176.61 7.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -64.77 -11.16 33.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -128.22 96.78 30.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 11' ' ' MET . 18.5 Cg_endo -74.96 165.86 30.46 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.553 HG21 ' C1D' ' A' ' 111' ' ' HEC . 71.8 t -148.69 150.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 10' ' ' LYS . 52.4 t -116.1 113.08 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -96.62 174.59 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -148.01 133.83 19.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -91.39 -10.58 40.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 m -88.82 -4.29 58.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.776 HG21 HBA2 ' A' ' 110' ' ' HEC . 18.8 m -103.26 -31.89 9.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -101.49 35.31 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -67.5 -38.2 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.9 p -73.07 -14.35 61.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.6 t -86.5 139.38 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.3 136.68 50.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.4 m -59.06 -30.88 68.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.257 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.93 -2.86 87.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.508 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 19.8 t0 -80.21 -28.59 38.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.7 m -110.39 -54.39 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -76.91 56.12 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.407 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 30.6 p80 -42.31 148.65 0.5 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.659 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.83 7.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 24.9 t -106.28 113.68 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.9 t30 84.35 -6.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.44 1.4 33.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -107.95 145.14 34.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.22 137.52 46.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -157.75 162.16 38.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.92 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 15.6 m-30 -108.19 88.63 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -122.68 176.11 6.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 133.9 35.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.469 ' SG ' HMD3 ' A' ' 108' ' ' HEC . 3.4 m -57.42 -46.57 83.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.86 50.49 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.7 140.4 31.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.351 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.87 122.13 10.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.33 -25.1 27.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.9 m -95.02 -109.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.437 ' CE1' HG11 ' A' ' 68' ' ' VAL . 99.8 m-70 -93.75 69.95 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.58 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.02 20.31 18.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.48 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 4.4 t -80.49 102.49 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.98 34.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' LYS . 7.6 t0 -116.68 75.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -40.23 -55.05 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HB2' ' NZ ' ' A' ' 58' ' ' LYS . 2.0 mtmp? -73.77 64.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -173.92 93.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 141.83 28.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.1 p 179.38 -61.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.42 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -178.99 -50.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 10.1 mtmt -64.69 -22.63 67.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.52 95.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.459 ' O ' ' CG ' ' A' ' 69' ' ' MET . 69.9 t80 -54.97 -43.52 73.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 2.6 t80 -77.11 2.14 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.66 ' CE1' ' H2A' ' A' ' 109' ' ' HEC . 1.5 t60 -102.21 -31.94 10.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.635 HG12 ' C3A' ' A' ' 109' ' ' HEC . 3.5 m -88.06 8.96 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 4.0 mmt -120.13 -10.67 9.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 71' ' ' ASP . 15.2 m80 -135.5 -60.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 1.9 t70 -39.42 134.31 1.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.712 ' HD3' HG21 ' A' ' 84' ' ' VAL . 19.3 mttt -102.04 -34.25 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -71.34 62.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.822 HG22 ' O2A' ' A' ' 109' ' ' HEC . 41.9 p -124.29 154.97 39.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -64.6 -23.36 67.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -119.93 156.9 29.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -65.06 125.08 23.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 p -97.47 159.47 14.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.941 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 54.2 m -44.89 -67.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 108.268 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 84' ' ' VAL . 71.5 t -63.6 -36.74 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.95 -59.51 8.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.528 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.2 t -63.9 -45.19 90.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.544 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 14.3 m170 -52.67 -44.36 66.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 80' ' ' VAL . 78.1 t -55.04 -38.29 45.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -34.09 61.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 82' ' ' CYS . 73.2 t -72.51 -53.32 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.79 -31.28 72.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.71 -105.71 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.28 60.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.643 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 3.6 t70 -106.09 -23.19 12.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 90' ' ' ASP . . . 80.57 -73.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.436 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -46.03 -55.95 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 97' ' ' LEU . 10.1 mtmm -65.06 -32.43 74.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -11.81 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.76 -4.41 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.96 -13.26 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.68 ' O ' HMC1 ' A' ' 111' ' ' HEC . 28.5 mt -116.95 -39.56 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.59 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 18.1 p -119.15 19.16 12.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.49 147.21 46.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.577 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 3.2 m -87.16 -49.06 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.56 140.25 50.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 69.85 47.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.59 -173.16 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -74.48 -29.92 61.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 75.2 m -83.62 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.281 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -98.17 128.61 44.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.991 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.822 ' O2A' HG22 ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.045 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.777 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -17.08 19.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt 55.9 178.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.482 ' N ' HMB2 ' A' ' 108' ' ' HEC . . . -72.03 148.01 91.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HD3' ' C4A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.0 168.03 25.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 169.32 2.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -83.32 166.44 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.9 18.88 45.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.738 HD11 HBD1 ' A' ' 108' ' ' HEC . 0.5 OUTLIER -74.3 92.97 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.789 ' HB2' HG22 ' A' ' 19' ' ' VAL . 4.9 ttpm? -89.29 143.95 26.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.504 ' HE2' ' O1D' ' A' ' 108' ' ' HEC . 19.8 mtp -111.64 96.25 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 5.3 tm-20 -105.26 65.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.18 -10.48 14.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.446 ' N ' ' O2D' ' A' ' 111' ' ' HEC . 12.4 p -132.83 176.24 8.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -10.34 33.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -128.42 94.69 34.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' A' ' 11' ' ' MET . 18.3 Cg_endo -74.97 166.46 29.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.488 HG21 ' C1D' ' A' ' 111' ' ' HEC . 71.5 t -150.02 151.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.789 HG22 ' HB2' ' A' ' 10' ' ' LYS . 53.5 t -116.47 112.74 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 87.3 t80 -95.98 168.46 10.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -139.89 131.91 27.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -90.42 -8.2 51.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -92.33 -5.38 52.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.534 HG21 HBA2 ' A' ' 110' ' ' HEC . 17.3 m -101.95 -30.66 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.442 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.471 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 59.2 m80 -101.96 35.14 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.39 -40.18 85.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 p -70.24 -13.3 62.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.66 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 137.07 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -58.25 -31.35 67.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.01 -4.52 83.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.493 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 19.5 t0 -78.46 -35.03 47.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.614 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 3.2 m -104.69 -54.68 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -75.94 73.17 2.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.672 ' CE1' HG22 ' A' ' 37' ' ' VAL . 30.9 p80 -63.88 148.28 95.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.544 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 109.19 2.88 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.829 HG12 ' NZ ' ' A' ' 40' ' ' LYS . 86.4 t -84.69 86.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.86 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.85 3.64 5.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.829 ' NZ ' HG12 ' A' ' 37' ' ' VAL . 3.0 mttp -96.58 137.47 35.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.22 78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -141.23 46.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.52 ' HB3' ' C4A' ' A' ' 108' ' ' HEC . 1.8 m-30 45.51 89.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.53 174.5 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 130.72 35.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.4 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.2 m -59.58 -46.32 89.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.323 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.0 51.29 3.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -94.72 131.52 40.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.7 108.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.48 -12.44 13.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.7 m -105.58 -91.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -107.78 65.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.652 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -126.42 76.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 t -108.15 -32.28 7.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.51 35.6 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -138.43 82.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -47.94 -53.69 15.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -73.48 59.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -164.45 88.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.34 141.16 28.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 24.0 p 174.35 -60.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 61' ' ' SER . . . 177.29 -48.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -64.57 -19.26 65.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.12 92.88 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -52.02 -37.8 54.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.0 OUTLIER -81.73 -1.35 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.638 ' CE1' ' H2A' ' A' ' 109' ' ' HEC . 0.7 OUTLIER -99.51 -17.78 17.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.631 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.709 HG12 ' C3A' ' A' ' 109' ' ' HEC . 1.6 m -100.49 8.28 8.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.428 ' O ' HG23 ' A' ' 80' ' ' VAL . 9.6 mmt -118.92 -9.59 10.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 71' ' ' ASP . 11.3 m80 -135.44 -63.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.66 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -38.2 131.49 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.85 -34.24 10.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -71.0 65.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.822 HG22 ' O2A' ' A' ' 109' ' ' HEC . 45.5 p -126.6 156.1 41.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -64.33 -24.97 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -120.25 155.19 33.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.74 127.03 29.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.31 163.05 12.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.047 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 57.9 m -48.18 -66.61 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.335 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.99 ' O ' HG23 ' A' ' 84' ' ' VAL . 96.2 t -63.51 -39.09 84.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.4 -58.68 7.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.73 -46.09 86.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.502 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 14.2 m170 -51.95 -44.32 63.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 109.566 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 80' ' ' VAL . 93.8 t -54.93 -37.33 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -33.96 60.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.511 HG21 HMD3 ' A' ' 110' ' ' HEC . 87.2 t -73.23 -51.55 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -64.81 -28.4 69.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.48 -121.95 1.19 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.065 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.36 46.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' ALA . 32.5 t0 -124.88 88.33 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -45.89 -55.55 6.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . -38.92 -61.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 97' ' ' LEU . 4.1 mtmp? -65.46 -33.53 76.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -64.45 -9.97 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -5.2 11.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.518 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -119.69 -0.51 10.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.78 ' O ' HMC1 ' A' ' 111' ' ' HEC . 22.4 mt -125.81 -49.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.58 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 21.6 p -109.76 9.58 24.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.41 148.24 37.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.55 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 2.2 m -87.45 -58.39 2.6 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -119.58 142.65 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 66.3 49.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.81 -173.31 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.538 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 13.0 mmtm -74.71 -29.11 61.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.11 -62.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -100.29 139.87 35.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.963 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.822 ' O2A' HG22 ' A' ' 74' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.036 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.797 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -75.01 -14.6 21.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.69 178.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' N ' HMB2 ' A' ' 108' ' ' HEC . . . -77.65 153.33 81.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HD3' ' C4A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -74.97 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.78 -166.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -103.61 168.82 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.99 10.57 75.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.892 HD13 ' O ' ' A' ' 9' ' ' LEU . 1.2 tm? -74.56 95.68 2.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.938 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.55 161.84 14.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.488 ' HG2' ' CGD' ' A' ' 108' ' ' HEC . 0.0 OUTLIER -115.49 128.55 56.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 4.1 tm-20 -127.08 62.52 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.51 -20.3 15.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.453 HG23 ' O1D' ' A' ' 111' ' ' HEC . 12.9 p -123.84 -178.77 4.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -72.97 -4.83 34.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.47 90.81 39.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.453 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.4 Cg_endo -75.0 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG21 ' C1D' ' A' ' 111' ' ' HEC . 69.0 t -155.25 147.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.938 HG22 ' HB3' ' A' ' 10' ' ' LYS . 73.1 t -105.9 115.22 47.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -100.52 162.0 13.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -139.72 146.07 39.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -100.53 -20.59 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.581 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 t -78.74 -0.91 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.446 HG21 HBA1 ' A' ' 110' ' ' HEC . 27.9 m -105.32 -32.75 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.382 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 64.2 m80 -101.28 35.59 2.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -66.3 -43.71 85.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.1 p -68.27 -15.46 63.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -85.14 141.31 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 137.92 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.45 -34.49 72.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.325 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.61 -2.29 68.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.5 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 15.8 t0 -82.29 -31.7 29.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.53 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.6 m -106.33 -55.6 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.303 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -75.75 58.12 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 26.0 p80 -42.64 149.28 0.49 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.624 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.18 17.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.807 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 97.7 t -125.45 117.8 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER 80.18 1.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.39 -1.28 58.71 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.71 153.6 19.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -130.26 112.98 13.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -139.71 150.23 44.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.949 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 16.2 m-30 -82.83 96.64 8.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.23 174.36 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' HMC3 ' A' ' 109' ' ' HEC . 0.1 OUTLIER -87.31 136.75 32.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.464 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.3 m -58.92 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.35 52.45 3.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -94.11 133.35 37.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 110.359 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.8 104.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.13 -9.78 11.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.4 m -107.54 -100.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -99.65 75.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -135.44 78.9 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.5 p -106.84 -35.17 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.18 35.38 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' LYS . 16.2 t0 -111.43 -31.22 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.07 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 69.62 -63.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -88.48 64.07 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -135.9 -55.6 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HA ' ' CG ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER 68.72 -139.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 m 77.68 -70.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -177.79 -42.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -64.83 -20.01 66.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.48 100.98 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -59.68 -43.81 93.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -75.78 -0.09 19.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.475 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 2.9 t60 -99.84 -20.87 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.595 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.561 HG12 ' C3A' ' A' ' 109' ' ' HEC . 3.0 m -97.33 8.16 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.4 mmt -115.76 -15.18 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.0 m80 -131.6 -63.17 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.614 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -39.38 123.88 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -32.15 15.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.16 71.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.538 ' HB ' ' CGA' ' A' ' 109' ' ' HEC . 44.2 p -135.81 156.05 49.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.363 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -64.69 -25.06 67.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -116.43 159.29 22.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.42 125.75 27.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.5 p -96.03 160.72 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.5 m -48.56 -66.18 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.65 ' O ' HG23 ' A' ' 84' ' ' VAL . 69.1 t -63.66 -37.65 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.44 -58.98 8.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.496 ' O ' HG23 ' A' ' 86' ' ' VAL . 44.3 t -63.69 -45.67 88.97 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.478 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 14.2 m170 -52.37 -45.01 65.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.561 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 80' ' ' VAL . 39.2 t -57.25 -37.29 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -32.73 62.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 82' ' ' CYS . 96.1 t -76.09 -52.46 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.472 ' CB ' ' HG3' ' A' ' 94' ' ' LYS . . . -71.03 -11.26 60.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' ALA . . . -36.79 118.8 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' N ' ' NZ ' ' A' ' 94' ' ' LYS . . . 40.38 90.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.575 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 8.6 t0 -164.68 -43.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.697 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . 76.13 145.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 84.1 -48.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 97' ' ' LEU . 14.1 mmtt -73.11 -39.64 65.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' HG3' ' CB ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -63.96 -11.81 31.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.27 -6.56 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.58 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -123.46 5.11 9.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.763 ' O ' HMC1 ' A' ' 111' ' ' HEC . 26.9 mt -127.63 -48.68 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.555 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 18.4 p -112.36 5.14 18.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.18 149.0 32.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.578 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 1.8 m -86.59 -56.63 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.71 141.03 52.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 73.35 40.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.78 -174.0 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -74.93 -29.79 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 79.2 m -82.71 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 108.27 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -100.47 138.11 37.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.578 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.965 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.729 HMB1 HBB3 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.044 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.763 HMC1 ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.554 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -75.05 171.31 18.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.5 173.99 6.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.5 154.38 91.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.527 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.3 Cg_endo -74.96 173.06 15.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.61 145.51 44.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.22 147.95 50.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.8 27.63 6.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.15 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.014 HD11 HBD1 ' A' ' 108' ' ' HEC . 0.7 OUTLIER -74.5 100.6 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.756 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.735 ' HB2' HG22 ' A' ' 19' ' ' VAL . 41.1 tttt -91.51 148.1 22.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.814 ' SD ' HMD1 ' A' ' 111' ' ' HEC . 0.2 OUTLIER -133.39 99.63 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 13.4 tm-20 -105.52 66.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HB3' ' O1D' ' A' ' 111' ' ' HEC . . . -90.16 -17.13 28.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.574 HG23 ' CGD' ' A' ' 111' ' ' HEC . 5.1 p -126.39 -179.98 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -64.3 -12.05 37.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.29 98.87 40.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.457 ' HB3' ' CG ' ' A' ' 12' ' ' GLU . 18.3 Cg_endo -75.01 157.51 42.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.435 HG21 ' C1D' ' A' ' 111' ' ' HEC . 41.8 t -140.07 155.42 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.735 HG22 ' HB2' ' A' ' 10' ' ' LYS . 38.0 t -122.24 113.59 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -100.43 149.4 23.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -123.51 129.72 51.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -83.09 -24.02 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.609 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.6 p -75.78 -2.08 28.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.599 HG21 ' CGA' ' A' ' 110' ' ' HEC . 23.0 m -104.0 -33.67 8.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.449 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 62.6 m80 -101.35 36.17 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -68.44 -39.17 81.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.0 -10.79 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.02 141.23 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -72.52 134.1 45.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.65 -36.72 69.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.44 -3.84 59.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.501 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 15.9 t0 -79.85 -33.53 40.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.522 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 1.7 m -105.16 -54.89 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 94.2 m-70 -76.73 59.41 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 28.6 p80 -45.56 148.64 1.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.587 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.17 7.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -101.55 111.04 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 61.88 14.36 6.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.32 0.23 55.78 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.5 151.41 19.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 0.731 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -174.23 104.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -145.72 48.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.843 ' CZ ' HMB3 ' A' ' 108' ' ' HEC . 7.4 m-30 50.03 100.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -135.58 145.34 46.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.674 ' O ' HMC3 ' A' ' 109' ' ' HEC . 0.0 OUTLIER -63.99 135.94 56.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.518 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.1 m -61.9 -53.32 57.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 108.313 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.87 52.61 3.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -94.07 133.35 37.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 110.421 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.78 103.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.11 -9.02 11.28 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.45 1.094 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -107.74 -101.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.493 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.4 m-70 -97.85 74.63 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.65 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.07 80.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.6 p -112.89 -33.06 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.041 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.59 35.89 15.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 58' ' ' LYS . 55.0 m-20 -109.04 -32.71 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.537 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER 67.17 -76.07 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.0 pttt -75.66 61.38 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -136.37 -58.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.5 OUTLIER 72.12 -142.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.1 OUTLIER 80.47 -64.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 61' ' ' SER . . . 175.2 -44.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -64.89 -12.81 53.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.68 98.05 1.14 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.153 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.31 -44.42 75.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.0 OUTLIER -74.59 -0.54 18.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.509 ' CE1' HG22 ' A' ' 74' ' ' THR . 0.6 OUTLIER -98.07 -19.33 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.612 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.663 HG12 ' C3A' ' A' ' 109' ' ' HEC . 3.8 m -98.14 9.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.9 mmt -118.15 -12.3 10.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' ASP . 9.3 m80 -135.81 -63.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -38.03 125.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -29.64 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -70.76 60.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.509 HG22 ' CE1' ' A' ' 67' ' ' HIS . 44.8 p -125.88 153.84 43.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -64.88 -28.51 69.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 67.2 m-85 -110.07 156.85 20.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -65.59 122.59 17.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.66 159.64 14.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 55.7 m -45.87 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.969 ' O ' HG23 ' A' ' 84' ' ' VAL . 75.5 t -63.75 -35.5 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.8 -60.26 8.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.519 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.8 t -63.67 -44.97 92.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.49 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 11.7 m170 -52.95 -44.26 66.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 80' ' ' VAL . 53.0 t -55.46 -38.05 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -34.29 62.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 82' ' ' CYS . 68.2 t -72.39 -54.03 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.86 -31.1 72.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.63 -107.1 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.14 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.4 63.5 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.663 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 66.1 t0 -110.4 -21.86 11.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 90' ' ' ASP . . . 82.21 -72.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.99 -59.12 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 97' ' ' LEU . 6.2 mtmp? -65.93 -32.54 74.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -64.29 -11.72 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -121.84 -5.77 9.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.86 -9.76 13.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.572 ' O ' HMC1 ' A' ' 111' ' ' HEC . 18.1 mt -119.49 -40.48 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.586 ' HB ' HG13 ' A' ' 80' ' ' VAL . 18.6 p -119.75 19.07 12.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.34 155.24 49.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.665 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 0.9 OUTLIER -94.67 -39.19 10.45 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 137.78 31.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.4 tttp 73.87 40.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.97 -171.65 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.51 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 5.1 mmtm -74.46 -27.99 60.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.0 m -86.72 -67.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -96.35 147.05 24.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.572 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.647 ' OXT' ' HG3' ' A' ' 107' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.014 HBD1 HD11 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.756 HMB1 HBB3 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.051 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.814 HMD1 ' SD ' ' A' ' 11' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.64 5.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -88.99 172.03 9.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.95 151.18 93.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -75.02 172.25 16.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.548 1.814 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.7 171.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -94.27 157.72 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.24 30.28 17.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -74.69 93.65 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.903 ' HB2' HG22 ' A' ' 19' ' ' VAL . 6.7 tttp -95.99 123.14 39.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.72 ' HE2' HMD1 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -109.6 109.01 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 8.0 tm-20 -108.97 68.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HB3' ' O1D' ' A' ' 111' ' ' HEC . . . -90.17 -17.57 27.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.419 HG23 ' CGD' ' A' ' 111' ' ' HEC . 7.7 p -126.55 179.28 5.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.45 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -64.45 -11.76 36.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.96 96.98 39.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 18.4 Cg_endo -74.95 164.05 34.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.828 HG21 ' C2D' ' A' ' 111' ' ' HEC . 63.6 t -142.37 152.05 18.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.903 HG22 ' HB2' ' A' ' 10' ' ' LYS . 41.5 t -119.36 114.17 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -107.78 138.63 43.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -119.25 113.87 21.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -64.85 -21.4 66.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.579 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.5 p -75.23 -3.53 33.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.462 HG21 HBA2 ' A' ' 110' ' ' HEC . 12.0 m -103.35 -33.63 9.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.442 ' CD2' HBC2 ' A' ' 108' ' ' HEC . 57.5 m80 -101.67 36.31 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -67.99 -38.19 82.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.4 p -73.17 -15.67 61.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.0 t -85.43 141.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -73.43 142.87 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.55 -31.77 73.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 108.318 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.31 -4.26 78.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 11.9 t0 -80.39 -34.43 36.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.586 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 2.9 m -105.43 -55.12 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.319 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -75.87 57.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.559 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 27.1 p80 -43.27 148.94 0.59 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.97 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.605 HG21 HBC2 ' A' ' 109' ' ' HEC . 39.8 t -87.83 -68.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -98.08 34.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.23 -0.18 87.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -118.42 148.71 42.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.75 78.03 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -75.77 127.07 32.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.513 ' HB3' ' C3A' ' A' ' 108' ' ' HEC . 18.7 m-85 -90.0 75.89 7.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.33 175.04 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HA ' HAD1 ' A' ' 108' ' ' HEC . 0.0 OUTLIER -73.54 128.2 34.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.85 -45.84 71.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 108.264 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.18 51.77 3.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.59 136.36 36.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.74 109.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.91 -16.37 13.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.563 1.165 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 95.2 m -104.38 -100.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.406 ' CE1' HG11 ' A' ' 68' ' ' VAL . 97.2 m-70 -100.06 71.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.557 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -133.4 77.91 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 t -106.01 -35.83 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.56 36.84 21.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -110.37 -45.81 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.28 -61.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 58.32 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' LYS . 18.3 t0 -172.06 56.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASP . 21.7 pttt -40.35 108.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.601 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -162.88 170.7 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.453 ' HB1' HAD1 ' A' ' 109' ' ' HEC . . . -52.96 -49.23 66.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -64.69 -20.4 66.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.73 92.04 0.27 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.435 1.084 . . . . 0.0 111.01 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -52.74 -39.11 61.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -78.45 -0.42 29.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -101.69 -14.6 17.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.658 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.7 m -101.87 8.48 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 80' ' ' VAL . 13.3 mmt -117.26 -14.04 10.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' ASP . 7.1 m80 -133.43 -62.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.586 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.529 ' OD2' ' CE1' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -38.72 125.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.87 -30.46 14.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 73' ' ' ASN . 6.9 p30 -71.33 65.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.438 HG22 ' CE1' ' A' ' 67' ' ' HIS . 41.5 p -129.57 156.28 44.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -65.3 -27.23 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -114.22 156.8 23.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -64.02 126.35 27.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 p -99.04 155.86 17.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.404 ' SG ' ' SD ' ' A' ' 69' ' ' MET . 57.5 m -42.79 -66.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.002 ' O ' HG23 ' A' ' 84' ' ' VAL . 98.9 t -63.54 -37.42 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.94 -59.26 8.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.499 ' O ' HG23 ' A' ' 86' ' ' VAL . 43.9 t -63.56 -45.49 90.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.414 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 11.7 m170 -52.95 -44.22 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 80' ' ' VAL . 81.7 t -57.03 -37.53 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -33.87 62.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 82' ' ' CYS . 78.7 t -75.02 -54.07 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.4 -38.22 84.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 39.5 -130.85 2.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.34 59.35 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.762 . . . . 0.0 109.274 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.79 -17.92 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.645 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . 60.2 152.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 81.54 -51.86 0.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 97' ' ' LEU . 23.7 mtmt -69.02 -41.42 77.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -64.69 -10.6 28.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.84 -15.55 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -120.29 4.15 10.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.67 ' O ' HMC1 ' A' ' 111' ' ' HEC . 13.7 mt -123.22 -46.81 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.584 ' HA ' HMC2 ' A' ' 111' ' ' HEC . 19.2 p -117.97 8.54 12.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.44 149.31 43.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.58 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 3.0 m -87.17 -58.15 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.09 135.73 54.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.78 49.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.39 -174.78 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.528 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 3.4 mmtt -75.3 -31.33 60.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 68.6 m -80.84 -62.02 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 108.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -101.94 145.55 29.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 109.602 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.95 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.746 HMB1 HBB3 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.05 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.828 ' C2D' HG21 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.511 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.99 -174.8 2.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 172.15 8.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.71 150.12 94.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.513 ' HG3' ' C2A' ' A' ' 108' ' ' HEC . 18.2 Cg_endo -74.97 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.72 150.95 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.5 150.15 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.4 25.99 7.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.031 HD11 HBD1 ' A' ' 108' ' ' HEC . 1.1 tm? -74.68 104.3 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.773 . . . . 0.0 109.344 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.939 ' HB2' HG22 ' A' ' 19' ' ' VAL . 4.5 tttt -102.61 146.49 28.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.892 ' SD ' HMD1 ' A' ' 111' ' ' HEC . 1.7 ptp -124.14 104.65 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 1.6 tm-20 -104.52 67.54 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.29 -10.09 26.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.569 HG23 ' O1D' ' A' ' 111' ' ' HEC . 70.1 p -135.29 177.27 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -63.96 -14.9 57.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.42 ' O ' HBD2 ' A' ' 111' ' ' HEC . 1.5 mm100 -119.69 97.26 49.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 160.0 40.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.603 HG21 ' C1D' ' A' ' 111' ' ' HEC . 60.0 t -142.02 152.71 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.939 HG22 ' HB2' ' A' ' 10' ' ' LYS . 41.8 t -119.55 117.38 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -106.02 144.83 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -121.06 130.16 53.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -82.24 -26.37 33.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.622 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.4 p -74.47 -2.99 28.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -102.33 -32.04 10.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.457 ' CG ' HBC2 ' A' ' 108' ' ' HEC . 64.2 m80 -103.29 37.18 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -68.92 -40.2 79.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 p -71.76 -9.29 58.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.6 t -91.83 142.39 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 135.39 44.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 m -58.56 -28.86 65.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.65 -3.54 89.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CBC' ' A' ' 110' ' ' HEC . 14.1 t0 -79.51 -33.98 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.514 ' SG ' HMC2 ' A' ' 110' ' ' HEC . 2.0 m -104.89 -54.49 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.79 56.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 21.3 p80 -41.76 148.34 0.46 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.632 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.98 132.19 15.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 70.7 t -118.88 112.98 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 10.8 t30 82.76 -0.32 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.18 -0.61 54.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.36 141.84 35.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.65 124.85 53.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -147.54 157.38 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.732 ' CE2' HMB3 ' A' ' 108' ' ' HEC . 22.1 m-85 -97.09 97.69 9.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.08 170.63 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 135.36 36.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.442 ' HA ' ' CHC' ' A' ' 109' ' ' HEC . 3.2 m -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.29 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.76 52.42 3.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 m -95.2 133.52 38.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 0.726 . . . . 0.0 110.41 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.89 107.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.29 -12.45 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.9 m -105.62 -99.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.468 ' CE1' HG11 ' A' ' 68' ' ' VAL . 96.1 m-70 -100.23 81.12 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.65 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.04 81.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -112.21 -28.5 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.99 35.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' LYS . 12.2 t0 -108.3 -38.3 5.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER 69.11 -66.25 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -74.62 58.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.38 94.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 133.85 34.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.38 -69.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.488 ' HB1' HAD1 ' A' ' 109' ' ' HEC . . . -174.85 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -7.0 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.33 91.43 0.94 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.403 ' OH ' ' SD ' ' A' ' 11' ' ' MET . 69.0 t80 -50.84 -37.47 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 1.3 t80 -83.44 0.26 46.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.626 ' CE1' ' H2A' ' A' ' 109' ' ' HEC . 0.2 OUTLIER -104.2 -8.38 19.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.711 HG12 ' C3A' ' A' ' 109' ' ' HEC . 2.1 m -105.28 7.28 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.723 ' HG2' HMD2 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -121.85 -5.86 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.4 m80 -134.51 -62.51 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 70' ' ' HIS . 2.4 t70 -39.08 133.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HE3' HG21 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -104.69 -20.75 13.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -86.48 56.93 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.808 HG22 ' O2A' ' A' ' 109' ' ' HEC . 41.3 p -117.21 158.33 24.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -64.75 -26.01 68.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -117.78 157.07 27.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -62.69 122.35 15.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 2.9 p -95.86 157.78 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 50.0 m -44.92 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 108.284 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.815 ' O ' HG23 ' A' ' 84' ' ' VAL . 92.7 t -63.67 -36.55 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.42 -59.44 9.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.5 t -63.91 -45.21 90.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.5 ' CE1' HBC1 ' A' ' 111' ' ' HEC . 12.6 m170 -53.0 -44.54 67.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.641 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 80' ' ' VAL . 49.7 t -57.6 -37.52 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.52 -33.7 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 82' ' ' CYS . 92.9 t -74.95 -54.07 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.463 ' CB ' ' HG2' ' A' ' 94' ' ' LYS . . . -67.58 -39.35 84.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.86 -127.56 1.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.69 60.33 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.76 -13.49 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . 59.59 154.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 79.02 -53.74 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 97' ' ' LEU . 22.9 mttt -69.92 -37.59 75.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -63.83 -11.58 28.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.98 -8.59 14.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -118.36 1.23 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.694 ' O ' HMC1 ' A' ' 111' ' ' HEC . 19.9 mt -126.37 -45.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.62 ' HB ' HG13 ' A' ' 80' ' ' VAL . 16.4 p -116.44 13.03 15.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.61 153.09 47.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.615 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 1.4 m -90.24 -56.87 3.05 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.77 134.23 54.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.45 46.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.39 -173.71 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.462 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 14.4 mmtm -74.82 -30.69 61.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.3 m -83.01 -63.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -100.09 132.6 45.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.031 HBD1 HD11 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 1.016 ' CGD' HMD1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.031 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.892 HMD1 ' SD ' ' A' ' 11' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_