data_1v63_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 1v63 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 151.15 39.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -115.81 131.32 56.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.81 101.53 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.95 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -174.15 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.76 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 mmm -124.11 -63.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -89.63 -65.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.76 -30.07 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.448 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 9.6 t80 -62.28 -32.44 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -72.02 -23.89 61.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -68.79 -58.46 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.653 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 14.6 t80 -54.03 -40.91 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LEU . 39.6 m -60.73 -59.57 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -42.16 -34.55 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -65.79 -45.24 83.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.653 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.9 mt -69.46 -19.58 63.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.41 -27.44 22.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -95.64 -21.06 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 86.1 m-20 -76.54 -60.64 2.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.49 28.88 6.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -29.95 62.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.773 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.457 ' CB ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -116.23 40.02 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -87.2 7.37 28.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.503 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 44.3 p-80 -88.02 -22.06 24.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.636 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.503 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -114.0 169.16 6.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.0 158.73 42.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -40.22 -55.22 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' LEU . 8.7 tptm -36.99 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.515 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.3 mt-10 -51.28 -50.37 59.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -41.52 -62.05 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.417 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 4.7 mmt -48.14 -68.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.515 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 4.0 p -46.08 -49.21 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.454 ' OE2' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -54.98 -40.84 70.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.9 mt -62.5 -63.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.51 -36.2 0.4 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -56.31 7.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -52.04 -38.75 58.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.558 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 27.2 t-105 -66.25 -30.83 71.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -79.5 -1.81 39.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -96.16 -51.32 4.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 pt -46.76 171.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.45 173.6 6.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -48.2 -50.53 28.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.0 t -38.87 -66.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.57 -72.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 45.2 mttp -40.99 -50.11 3.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.48 -49.71 69.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.565 ' CD2' HD13 ' A' ' 59' ' ' LEU . 74.2 t60 -56.19 -59.36 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.54 -33.44 60.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -69.14 -40.37 78.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.6 -46.02 77.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 55' ' ' HIS . 50.5 mt -56.8 -48.79 77.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.34 -39.12 6.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.22 -39.5 89.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -74.65 -43.31 55.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -49.51 76.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -67.13 -21.89 65.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -76.61 -45.29 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -69.52 -46.4 66.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -50.94 -25.0 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -57.34 7.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -66.32 -41.01 88.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -48.36 -42.38 31.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.591 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 tp -58.45 -38.5 77.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.19 -41.29 61.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 73' ' ' LEU . 7.9 mt -59.7 -34.24 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.57 ' CZ3' HD13 ' A' ' 78' ' ' LEU . 21.0 t90 -72.72 -27.84 62.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.024 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.505 HG23 ' CE3' ' A' ' 74' ' ' TRP . 23.3 t -74.57 -45.57 44.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -52.65 -21.98 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 m -91.42 -33.64 15.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.57 HD13 ' CZ3' ' A' ' 74' ' ' TRP . 17.4 mt -46.09 124.97 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -52.5 178.8 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -14.92 20.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -94.15 -40.91 9.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -70.25 -53.44 16.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -37.81 64.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.31 -29.96 67.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -83.58 -61.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.546 ' CE1' HG13 ' A' ' 90' ' ' ILE . 5.0 t80 -40.24 -46.21 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -60.0 -44.13 94.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.3 pt-20 -42.81 -37.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.422 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 4.3 t80 -81.13 -32.88 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.546 HG13 ' CE1' ' A' ' 86' ' ' TYR . 6.0 mm . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 127.49 10.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 159.64 14.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 112.23 7.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.09 168.7 24.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -164.99 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.793 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.8 mtm -153.24 160.57 42.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 61.54 -80.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 13' ' ' MET . . . 162.77 -27.22 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.3 -44.01 76.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -57.2 -30.01 64.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -65.97 -60.82 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.638 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 27.9 t80 -55.81 -44.57 77.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.6 m -54.25 -59.51 4.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -45.41 -34.03 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -64.77 -44.18 90.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.638 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mt -70.15 -19.32 63.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -86.46 -27.4 24.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.66 -21.83 17.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 88.5 m-20 -75.78 -60.54 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.03 28.53 6.49 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.35 -18.38 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -125.86 40.03 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -91.22 8.7 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -91.79 -8.16 47.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.93 166.92 22.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.06 40.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.1 tm? -45.7 -58.45 3.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' LEU . 47.8 tptt -38.28 -31.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.55 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.0 mt-10 -92.32 -45.85 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -43.22 -61.37 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 110.341 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.9 mmt -49.17 -69.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.55 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.8 p -42.21 -50.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 4.1 tp10 -52.05 -43.78 63.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.46 HG13 ' CD1' ' A' ' 29' ' ' LEU . 16.8 mt -58.94 -59.68 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.62 -31.85 0.09 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.41 -55.02 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.953 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -56.51 -41.54 76.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 44.6 t-105 -66.06 -31.7 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -76.58 -10.92 59.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -89.07 -52.38 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.534 ' CD1' ' CE3' ' A' ' 45' ' ' TRP . 16.9 pt -41.99 162.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.51 -172.24 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' SER . 11.7 tp60 -59.01 -52.15 67.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLN . 40.9 t -38.36 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' HIS . 1.3 mp0 -42.53 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 16.6 mttp -39.22 -50.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -46.99 79.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' GLN . 77.7 t60 -58.02 -61.59 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.91 -33.98 65.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -69.04 -42.56 76.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.47 -46.1 81.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 78.6 mt -57.9 -44.49 86.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.65 -73.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 19.4 pt-20 -41.43 -40.4 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 2.4 tt0 -63.66 -50.1 70.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -43.81 44.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -71.85 -19.39 61.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' GLU . 13.0 ttt180 -83.51 -35.14 25.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 19.2 mt-30 -84.49 -42.43 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.7 t80 -50.81 -20.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.86 -59.13 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.9 m -58.02 -40.48 76.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 23.8 m170 -42.54 -50.01 5.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.9 mt -52.33 -48.95 65.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.3 -45.05 80.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 73' ' ' LEU . 4.7 mt -65.72 -42.0 91.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.568 ' CE3' HG23 ' A' ' 75' ' ' VAL . 8.0 t90 -63.59 -30.91 71.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.568 HG23 ' CE3' ' A' ' 74' ' ' TRP . 49.5 t -69.35 -51.19 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.45 -23.6 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.3 t -88.21 -32.58 18.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.46 ' CD1' ' CH2' ' A' ' 74' ' ' TRP . 15.2 mt -50.04 124.64 10.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -49.88 179.41 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 -15.66 20.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -94.22 -52.05 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.23 -53.42 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.71 -44.15 85.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.03 40.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.79 -55.42 5.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.566 ' CE2' HG22 ' A' ' 75' ' ' VAL . 72.3 t80 -49.67 -60.83 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -44.74 76.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -31.98 4.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -89.84 -37.95 14.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.469 HD12 ' CZ ' ' A' ' 86' ' ' TYR . 2.5 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.67 10.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.73 143.0 27.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -57.07 109.55 1.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.564 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.01 173.58 14.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.449 1.763 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -74.99 166.11 29.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.415 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -116.59 -18.42 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.415 ' N ' ' HG3' ' A' ' 13' ' ' MET . 6.5 p30 -139.58 149.44 43.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -44.16 -43.51 7.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.431 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 20.8 t80 -53.18 -68.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' NE2' ' HG2' ' A' ' 13' ' ' MET . 10.6 mt-30 -42.86 -37.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 2.4 tptt -65.18 -58.3 6.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 2.3 t80 -55.17 -42.72 73.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.2 m -57.47 -57.46 12.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.17 -32.97 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -63.8 -43.29 96.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 3.6 mt -71.11 -27.4 63.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.95 -27.92 57.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.44 -22.6 17.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 82.8 m-20 -75.72 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.89 28.21 6.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.35 -17.97 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.556 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -126.7 37.6 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -2.78 51.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 44.8 p-80 -75.05 -16.66 60.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -122.57 168.33 12.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 160.52 39.84 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -40.88 -56.3 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LEU . 7.4 tptm -35.76 -68.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.4 mt-10 -52.48 -52.6 53.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -38.51 -62.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.9 mmt -46.78 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.9 p -47.39 -47.18 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -58.06 -39.79 79.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' ARG . 23.9 mt -61.2 -55.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.74 3.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -52.9 47.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -55.96 -38.53 70.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 53' ' ' LYS . 45.6 t-105 -66.52 -33.04 74.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -81.14 -9.42 59.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -90.75 -42.45 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.425 ' CG1' ' O ' ' A' ' 45' ' ' TRP . 14.7 pt -51.44 -177.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.21 -179.53 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -54.14 -53.43 53.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.6 t -39.09 -49.1 1.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -63.97 -65.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 17.8 mttp -44.05 -48.37 8.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.64 -61.89 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.571 ' CD2' HD12 ' A' ' 59' ' ' LEU . 75.6 t60 -46.96 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -45.53 -44.99 13.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.411 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 14.4 ttmt -58.0 -36.68 73.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -70.27 -50.75 36.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 55' ' ' HIS . 48.3 mt -49.03 -52.72 23.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -39.99 -48.13 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.42 -49.5 67.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -50.51 -57.31 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.17 -43.27 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -71.05 -36.77 72.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 ttt85 -58.41 -44.88 89.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.02 -45.9 55.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.564 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 11.8 t80 -48.07 -49.54 31.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -25.46 61.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -87.17 -47.99 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -42.94 -48.45 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.613 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 74' ' ' TRP . 73.1 mt -45.37 -65.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.72 -45.83 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.94 -41.93 98.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.574 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 7.4 t90 -66.19 -34.77 78.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.555 HG22 ' CE3' ' A' ' 74' ' ' TRP . 50.3 t -63.46 -52.9 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -50.2 -23.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.92 -31.2 20.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.574 HD11 ' CZ3' ' A' ' 74' ' ' TRP . 22.8 mt -52.81 132.07 36.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.92 178.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -74.93 -15.87 20.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -94.24 -42.48 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.0 -59.02 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -48.36 50.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.93 -29.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.76 -48.48 10.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.475 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 23.5 t80 -55.57 -60.17 3.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -39.1 71.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.01 -38.09 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -80.51 -33.89 36.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.465 HD12 ' CZ ' ' A' ' 86' ' ' TYR . 2.3 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.99 130.7 13.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.89 157.51 18.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 114.78 38.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.417 ' CB ' ' HB3' ' A' ' 63' ' ' GLN . 18.3 Cg_endo -75.01 173.84 13.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -168.22 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 15' ' ' GLY . 6.4 mtm -157.48 159.22 37.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 2.7 m-20 66.53 -73.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . 159.13 -31.03 0.44 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 6.7 t80 -64.85 -45.78 84.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -62.35 -25.84 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -67.99 -61.1 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 10.7 t80 -54.05 -44.46 71.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 23' ' ' LEU . 60.6 m -50.83 -58.17 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -43.42 -35.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -61.42 -43.82 98.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.583 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 3.2 mt -69.15 -29.71 67.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.46 -27.92 59.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.367 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -19.86 19.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' GLU . 79.4 m-20 -78.11 -60.23 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.78 25.32 8.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.85 -17.61 60.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.496 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -123.67 40.05 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -89.16 9.31 26.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 50.7 p-80 -87.9 -21.04 25.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -123.12 165.54 21.85 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.3 Cg_endo -75.04 160.08 40.45 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 37' ' ' ARG . 4.6 tp -45.33 -56.94 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 5.3 tptm -39.86 -29.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 34' ' ' LEU . 4.4 mm-40 -94.94 -39.19 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' LEU . 82.7 mtt180 -53.86 -53.28 54.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 37.8 mmm -55.82 -15.23 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 1.6 t -91.06 -57.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.31 -40.45 59.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.258 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.496 HG13 ' CD1' ' A' ' 29' ' ' LEU . 30.4 mt -57.52 -59.92 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.62 -36.08 0.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -70.33 -53.26 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -55.59 -43.57 76.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 16' ' ' TYR . 41.1 t-105 -61.32 -30.38 70.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 107.965 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -82.83 -6.76 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' ILE . 27.5 mtp180 -95.57 -42.11 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 47' ' ' ARG . 19.7 pt -50.12 179.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -115.67 176.72 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -51.23 -52.68 42.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.6 t -39.84 -46.1 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -66.66 -63.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 35.4 mttt -46.86 -49.58 19.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.04 -60.9 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.424 ' NE2' HD11 ' A' ' 59' ' ' LEU . 78.7 t60 -47.74 -64.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.57 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -48.93 -41.1 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.468 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 5.6 ttpt -62.51 -52.35 63.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.13 -48.57 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.445 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 87.2 mt -53.55 -56.53 16.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.52 -44.81 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.79 -47.48 77.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -57.45 -60.18 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HB3' ' CB ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -42.41 -39.7 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -75.2 -37.49 61.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' GLU . 6.2 ttt180 -55.06 -55.6 29.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.423 ' N ' ' HG2' ' A' ' 65' ' ' ARG . 3.4 mp0 -62.3 -47.61 83.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -46.27 -50.89 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -30.8 61.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 66' ' ' GLN . 15.8 t -82.82 -58.06 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -47.35 -50.72 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 12.7 tp -47.95 -43.28 29.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -43.24 80.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.94 -32.56 72.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.576 ' CH2' HD12 ' A' ' 78' ' ' LEU . 19.5 t90 -70.75 -29.55 65.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.519 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 44.2 t -72.87 -47.87 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -53.19 -20.78 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.75 -27.86 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.576 HD12 ' CH2' ' A' ' 74' ' ' TRP . 13.0 mt -54.07 125.01 17.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.529 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -50.95 179.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.976 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.05 -17.02 19.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -94.12 -47.41 6.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.2 -52.68 64.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.429 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -58.61 -40.34 82.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.11 -33.47 26.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.78 -51.95 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CE1' HG13 ' A' ' 90' ' ' ILE . 22.7 t80 -52.16 -59.91 3.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -40.27 74.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -33.22 53.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.255 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -87.38 -28.96 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.559 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.5 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.09 33.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 147.44 45.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 107.67 0.9 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -74.99 165.84 30.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.63 2.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.406 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 7.1 mtp -156.12 148.45 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 13' ' ' MET . 8.4 m-80 74.77 -58.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 141.2 -43.23 1.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -57.19 -43.82 83.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -60.17 -30.79 69.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -61.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 3.4 t80 -50.99 -42.08 60.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 m -57.94 -56.48 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -47.15 -33.37 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.76 -43.08 97.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.9 -26.01 63.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.0 mt -79.82 -27.36 40.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.37 -20.92 18.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' GLU . 82.4 m-20 -76.64 -61.1 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.376 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' ND2' ' A' ' 30' ' ' ASN . . . 103.65 25.63 7.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.9 -18.64 60.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.518 ' CB ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.79 40.47 3.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 27' ' ' GLY . 8.2 p30 -87.45 -2.35 58.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.509 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 40.3 p-80 -77.54 -26.72 51.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD13 ' CB ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -108.16 166.79 10.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.99 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -46.95 -59.06 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 34' ' ' LEU . 14.5 tttm -33.75 -70.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 8.1 mt-10 -52.14 -52.64 50.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -38.52 -62.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.1 mmt -47.31 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 36' ' ' GLU . 3.5 p -46.99 -47.54 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.57 -34.24 72.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 37' ' ' ARG . 23.3 mt -69.69 -54.36 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.7 -38.91 7.85 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -54.33 33.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -55.16 -38.45 68.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.58 ' CH2' ' HG2' ' A' ' 53' ' ' LYS . 41.2 t-105 -63.76 -29.26 70.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 107.988 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -81.07 -1.8 45.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 48' ' ' ILE . 37.2 mtp85 -94.0 -51.98 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.472 ' HB ' ' CB ' ' A' ' 52' ' ' GLN . 18.9 pt -42.94 164.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.0 p -106.95 164.91 11.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' SER . 18.8 tp60 -39.07 -58.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' GLN . 9.1 t -38.57 -44.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.472 ' CB ' ' HB ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -65.39 -72.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.58 ' HG2' ' CH2' ' A' ' 45' ' ' TRP . 46.7 mttp -38.89 -43.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -56.92 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CD2' HD12 ' A' ' 59' ' ' LEU . 77.7 t60 -47.92 -64.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -48.61 -57.77 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 14' ' ' ASN . 4.1 ttpp -47.54 -46.15 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -59.05 -56.6 20.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.566 HD12 ' CD2' ' A' ' 55' ' ' HIS . 47.4 mt -44.48 -56.93 3.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.2 -46.78 2.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -58.32 -45.87 87.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.1 tt0 -66.07 -42.38 89.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -50.95 66.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.09 -33.0 74.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -67.66 -44.54 77.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.497 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 33.7 mt-30 -69.08 -46.68 67.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 2.0 t80 -50.4 -22.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -72.83 -68.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 m -49.45 -41.03 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.087 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 19.7 m170 -43.29 -56.69 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.596 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 75' ' ' VAL . 67.7 mt -46.08 -48.41 17.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -46.82 81.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -62.9 -43.66 98.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.364 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.571 ' CZ2' HD23 ' A' ' 78' ' ' LEU . 8.6 t90 -64.73 -34.12 77.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.007 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.569 HG21 ' CE3' ' A' ' 74' ' ' TRP . 40.7 t -64.13 -51.4 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -48.25 -25.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 75' ' ' VAL . 23.3 t -84.75 -36.1 21.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.571 HD23 ' CZ2' ' A' ' 74' ' ' TRP . 20.0 mt -47.4 126.34 9.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.508 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -55.34 178.21 0.11 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.08 -14.08 21.06 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -94.13 -40.29 10.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.0 -57.38 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -38.15 49.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.48 -30.52 41.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -84.89 -61.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.527 ' CZ ' HD12 ' A' ' 90' ' ' ILE . 21.4 t80 -37.51 -50.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -57.41 -47.29 82.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.4 pt-20 -38.89 -43.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.421 ' N ' ' CG ' ' A' ' 88' ' ' GLU . 6.5 t80 -76.53 -38.75 54.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.527 HD12 ' CZ ' ' A' ' 86' ' ' TYR . 13.8 mm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.01 27.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 144.53 39.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 109.59 1.86 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.96 172.86 15.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 164.1 34.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -103.94 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -88.38 174.27 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.55 -31.49 76.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.405 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 23.6 t80 -62.46 -67.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -42.66 -29.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -70.65 -62.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.66 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 8.8 t80 -52.52 -44.6 65.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -57.41 -46.76 83.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -53.08 -35.07 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -64.18 -43.42 95.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.66 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 3.8 mt -69.62 -25.12 63.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.3 mt -81.55 -27.76 34.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 t -95.15 -20.33 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' GLU . 79.6 m-20 -76.79 -60.28 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.47 24.19 8.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.58 -23.82 62.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -125.48 40.15 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -89.4 2.13 54.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -84.44 -13.97 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.61 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -123.6 167.97 13.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.59 42.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' ARG . 5.1 tp -46.03 -56.2 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -41.1 -29.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.5 mt-10 -93.76 -36.45 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' LEU . 73.1 mtt180 -56.74 -60.03 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.421 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 53.9 mmm -49.11 -67.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.478 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.3 p -39.41 -60.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.42 -45.42 46.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 29' ' ' LEU . 37.1 mt -57.45 -58.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.46 -29.92 0.27 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -56.17 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -51.55 -38.07 52.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 45.5 t-105 -69.08 -32.38 71.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -78.06 -2.32 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 10.6 mtp-105 -97.63 -51.56 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.9 pt -45.58 169.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.7 -179.19 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -51.47 -51.44 55.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -38.4 -68.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -43.93 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 42.1 mttp -38.55 -48.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.54 -52.11 66.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' NE2' HD13 ' A' ' 59' ' ' LEU . 69.8 t60 -54.64 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.483 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 14.2 m-85 -48.25 -53.85 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 9.5 ttpt -55.81 -31.08 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -73.6 -40.4 63.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.458 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 97.8 mt -69.47 -42.09 75.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.46 -34.18 23.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 1.4 mt-10 -73.02 -39.21 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -39.84 87.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -46.77 82.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -68.69 -31.43 70.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -67.37 -42.64 83.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.529 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 34.5 mt-30 -71.15 -45.16 64.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.5 t80 -51.95 -21.75 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -65.64 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 m -53.11 -41.09 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 20.6 m170 -43.84 -53.6 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.589 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.4 mt -48.39 -45.9 36.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -45.33 93.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 73' ' ' LEU . 4.8 mt -64.06 -40.06 95.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.572 ' CH2' HD12 ' A' ' 78' ' ' LEU . 9.2 t90 -68.13 -27.82 66.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.55 HG22 ' CE3' ' A' ' 74' ' ' TRP . 47.2 t -72.66 -49.29 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -51.73 -23.65 4.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.6 m -87.1 -28.53 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.572 HD12 ' CH2' ' A' ' 74' ' ' TRP . 16.2 mt -57.29 123.78 16.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -53.35 179.67 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.08 -16.18 20.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -94.42 -39.78 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.5 -55.09 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -43.26 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.78 -27.4 28.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -81.96 -55.25 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CE1' HG13 ' A' ' 90' ' ' ILE . 1.8 t80 -43.55 -43.69 5.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -60.78 -38.15 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.6 pt-20 -47.04 -38.0 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.436 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -80.34 -22.99 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' CE1' ' A' ' 86' ' ' TYR . 1.8 mm . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.76 23.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 173.77 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.15 116.46 66.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -163.07 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.44 ' CG ' ' NE2' ' A' ' 17' ' ' GLN . 2.9 ptp -150.01 -45.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' TYR . 66.7 m-80 -90.84 133.42 35.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -37.89 -29.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.148 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' ASN . 29.1 t80 -70.33 -64.4 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' NE2' ' CG ' ' A' ' 13' ' ' MET . 21.1 mt-30 -41.15 -33.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -69.17 -60.17 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.655 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 13.8 t80 -54.28 -43.77 71.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 21' ' ' GLN . 7.1 p -54.39 -63.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' N ' ' OG ' ' A' ' 20' ' ' SER . 6.4 tm0? -43.49 -32.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.75 -43.01 97.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.655 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mt -71.16 -34.21 70.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.0 mt -72.03 -26.3 62.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 t -95.52 -22.83 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' GLU . 76.4 m-20 -74.29 -59.41 2.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.85 26.5 7.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.8 -23.19 55.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -126.32 38.84 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.6 p30 -91.07 15.35 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.491 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 45.1 p-80 -96.0 -24.58 16.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.491 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -110.6 171.02 4.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.91 34.38 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.75 -56.16 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . 16.2 tptt -36.12 -70.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.511 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.3 mt-10 -51.28 -51.83 50.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.43 -63.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.4 mmt -46.6 -69.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.511 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.7 p -46.55 -48.68 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -55.62 -37.67 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 29' ' ' LEU . 15.9 mt -66.48 -59.74 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.55 -38.22 0.98 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -55.81 15.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.029 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -55.22 -36.11 65.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.574 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 41.6 t-105 -71.72 -31.98 67.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -77.76 -16.39 58.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -81.35 -53.47 6.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.2 pt -44.56 167.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.3 -168.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 51' ' ' SER . 12.3 tp60 -62.76 -51.28 67.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 8.5 t -38.48 -67.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -45.8 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.574 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 11.3 mttp -38.85 -46.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.15 -55.38 35.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' LYS . 63.8 t60 -51.78 -63.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -43.17 -51.58 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -53.95 -35.67 62.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -72.57 -36.04 68.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 47.4 mt -69.45 -41.87 75.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.36 -65.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.496 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 11.5 pt-20 -42.1 -45.32 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.496 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 5.9 tt0 -62.23 -53.96 47.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -44.25 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 13' ' ' MET . 39.7 mt-30 -69.92 -41.69 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.62 -48.63 66.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -69.28 -45.83 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.477 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 35.1 t80 -51.87 -62.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -47.28 -33.16 5.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.9 t -76.72 -56.44 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' LEU . 17.9 m170 -43.2 -55.62 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.568 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.477 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 14.1 mt -41.75 -54.27 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.14 -43.12 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' HIS . 16.1 mt -63.61 -41.84 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.562 ' CZ3' HD12 ' A' ' 78' ' ' LEU . 11.6 t90 -65.56 -30.41 71.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.002 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.566 HG21 ' CE2' ' A' ' 86' ' ' TYR . 49.9 t -70.19 -38.23 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -64.61 -12.33 44.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.4 m -106.92 6.63 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.562 HD12 ' CZ3' ' A' ' 74' ' ' TRP . 22.8 mt -88.89 143.0 27.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -66.21 178.79 0.56 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -75.0 -17.09 19.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -91.36 -48.16 7.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -59.5 -60.96 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -47.1 38.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.47 -54.66 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -63.09 -67.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.566 ' CE2' HG21 ' A' ' 75' ' ' VAL . 87.0 t80 -36.02 -50.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -55.47 -49.73 71.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.4 pt-20 -39.21 -38.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -83.46 -40.63 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.527 HD13 ' CE2' ' A' ' 86' ' ' TYR . 10.0 mm . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.09 28.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -115.05 162.37 17.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 113.85 23.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HG3' ' CB ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 173.23 14.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.96 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 mmm -134.55 -70.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -82.49 167.61 18.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.414 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -62.52 -30.67 77.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -64.44 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -41.72 -30.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -71.99 -64.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 2.8 t80 -50.67 -46.83 58.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -53.0 -52.59 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.31 -32.66 11.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -63.32 -42.28 98.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.62 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.0 mt -72.23 -30.94 65.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.61 -26.9 61.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.4 t -95.54 -21.7 18.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 77.1 m-20 -75.77 -61.08 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.22 23.79 8.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.45 -21.59 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.54 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -125.61 35.69 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.22 2.02 45.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 44.5 p-80 -81.41 -22.57 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 HD12 ' CB ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -113.71 166.5 11.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.4 Cg_endo -75.04 157.56 42.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 1.3 tm? -38.78 -56.34 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -35.96 -70.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -50.2 -51.27 45.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 2.5 mtm180 -40.25 -67.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.3 mmt -39.8 -32.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 35' ' ' LYS . 1.7 t -77.16 -61.06 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -48.04 -36.58 13.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.48 HG13 ' CD1' ' A' ' 29' ' ' LEU . 40.9 mt -66.45 -58.88 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.13 -44.64 7.63 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -52.58 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -58.1 -42.2 85.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 43.2 t-105 -66.52 -31.89 72.9 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.19 -9.03 59.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -87.92 -56.48 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 52' ' ' GLN . 22.9 pt -44.65 167.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -170.34 1.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' SER . 15.0 tp60 -59.56 -53.55 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' GLN . 14.7 t -36.71 -59.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.425 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -50.58 -71.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 21.0 mttt -39.13 -45.19 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.22 -59.52 5.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.416 ' NE2' HD13 ' A' ' 59' ' ' LEU . 70.1 t60 -44.85 -64.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 16.9 m-85 -48.69 -50.2 34.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 13.5 ttpp -57.19 -29.64 63.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -76.31 -38.88 55.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.467 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 82.9 mt -70.6 -44.66 66.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.16 -35.11 6.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -72.13 -34.46 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -69.47 -37.49 77.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -51.3 70.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.453 ' O ' ' CG ' ' A' ' 68' ' ' LYS . 30.7 mt-30 -65.13 -25.47 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.347 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -73.63 -44.28 57.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.603 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 32.3 mt-30 -68.59 -47.24 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.443 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . 4.9 t80 -56.97 -24.29 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 64' ' ' GLN . 29.7 mmtt -71.37 -63.01 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -57.57 -44.23 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 20.8 m170 -41.82 -55.4 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.606 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.1 mt -46.24 -49.65 16.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -43.29 78.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.412 ' N ' HD21 ' A' ' 73' ' ' LEU . 4.3 mt -65.62 -38.9 90.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.577 ' CH2' HD11 ' A' ' 78' ' ' LEU . 7.0 t90 -66.19 -29.16 69.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.554 HG21 ' CE2' ' A' ' 86' ' ' TYR . 47.7 t -71.44 -39.11 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -63.67 -14.15 49.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -103.56 10.1 37.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.577 HD11 ' CH2' ' A' ' 74' ' ' TRP . 34.2 mt -95.22 139.92 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.557 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -63.56 -179.02 0.25 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 -15.9 20.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -93.98 -51.03 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.78 -55.16 37.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.48 -41.28 72.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.31 -54.68 19.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -59.39 -66.32 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.57 ' CE2' HD11 ' A' ' 90' ' ' ILE . 87.5 t80 -37.63 -51.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -45.81 71.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 pt-20 -43.8 -39.03 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -81.47 -40.91 22.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.57 HD11 ' CE2' ' A' ' 86' ' ' TYR . 19.8 mm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 154.33 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 115.29 33.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.48 ' CG ' ' HA ' ' A' ' 64' ' ' GLN . 18.3 Cg_endo -74.96 173.27 14.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.446 1.761 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -170.95 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.48 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -159.58 146.2 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 5.0 m-20 81.52 -65.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.448 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . 150.41 -34.93 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.515 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 10.2 t80 -60.74 -44.46 96.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -66.0 -26.06 67.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -67.26 -56.77 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 11.8 t80 -60.0 -40.61 89.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' LEU . 29.2 m -55.14 -59.32 4.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -42.67 -35.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -62.54 -43.45 98.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 19' ' ' PHE . 4.0 mt -69.57 -26.45 64.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.28 -28.15 47.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -95.52 -20.62 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 81.8 m-20 -76.85 -60.52 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.2 28.28 6.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.83 -17.55 59.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 0.803 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -128.73 40.49 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.37 2.41 56.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 35.3 p-80 -83.7 -24.46 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.649 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -108.16 172.29 3.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.2 Cg_endo -74.97 153.39 41.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -43.03 -56.16 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . 22.9 tptt -40.01 -39.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.526 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 4.2 mt-10 -77.82 -47.54 18.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -39.52 -63.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.231 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.6 mmt -46.88 -69.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.6 p -46.17 -49.15 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -52.94 -40.3 63.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.478 HG13 ' CD1' ' A' ' 29' ' ' LEU . 13.0 mt -63.81 -60.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.49 -31.42 0.07 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.52 -54.05 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ILE . 3.4 mtp85 -55.86 -40.41 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.519 ' CH2' ' HA ' ' A' ' 53' ' ' LYS . 41.5 t-105 -62.29 -31.54 72.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 107.988 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -80.97 -7.33 59.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.4 mtp85 -93.4 -43.68 8.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.455 HD12 ' CE3' ' A' ' 45' ' ' TRP . 19.0 pt -50.53 -179.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m -118.32 179.68 4.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -52.52 -53.48 45.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.0 t -38.98 -46.27 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -66.96 -62.91 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.519 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 89.6 mttt -46.63 -45.03 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.6 -60.72 2.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CD2' HD13 ' A' ' 59' ' ' LEU . 77.4 t60 -49.16 -63.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -49.75 -42.34 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' ASN . 2.2 ttpp -61.09 -45.79 93.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.36 -52.04 66.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 55' ' ' HIS . 51.9 mt -49.11 -53.33 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' A' ' 64' ' ' GLN . . . -43.51 -40.86 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 61' ' ' GLU . 2.2 mm-40 -63.16 -42.01 99.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -71.65 -42.84 67.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -44.55 81.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.48 ' HA ' ' CG ' ' A' ' 11' ' ' PRO . 25.0 mt-30 -69.66 -41.14 75.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -45.96 52.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.0 -52.92 63.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.263 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.453 ' C ' ' N ' ' A' ' 69' ' ' VAL . 68.2 t80 -52.71 -60.33 3.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' TYR . 29.5 mmmt -40.28 -29.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.453 ' N ' ' C ' ' A' ' 67' ' ' TYR . 57.3 t -88.91 -65.03 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -39.89 -40.45 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.575 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.31 -52.54 65.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -59.79 -42.12 92.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.9 mt -59.43 -38.5 80.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.56 ' CZ3' HD13 ' A' ' 78' ' ' LEU . 13.3 t90 -62.83 -27.49 69.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.58 HG23 ' CE2' ' A' ' 86' ' ' TYR . 94.2 t -81.03 -31.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -71.12 -4.59 26.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.9 t -114.61 -9.04 12.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.56 HD13 ' CZ3' ' A' ' 74' ' ' TRP . 14.0 mt -74.01 128.97 36.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' ' 83' ' ' ARG . 0.3 OUTLIER -47.53 175.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 -9.23 20.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.544 1.813 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -94.06 -56.89 2.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.82 -59.3 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.504 ' CZ ' ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -48.54 -50.94 30.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.28 -42.31 6.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -71.45 -64.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 75' ' ' VAL . 50.6 t80 -37.71 -48.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.3 OUTLIER -55.43 -48.31 74.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.1 pt-20 -38.69 -39.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.403 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 8.2 t80 -82.0 -38.4 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.565 HG13 ' CE2' ' A' ' 86' ' ' TYR . 7.1 mm . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.28 41.64 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 117.7 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 115.63 1.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HB3' ' NE2' ' A' ' 63' ' ' GLN . 18.2 Cg_endo -75.02 172.57 16.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.42 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.08 -166.06 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 mmm -126.5 -72.42 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -86.99 177.31 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.97 -33.34 74.53 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.462 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 22.8 t80 -62.24 -66.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -43.87 -29.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 7.2 tptt -70.11 -60.74 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.657 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 15.5 t80 -54.84 -45.74 74.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.4 m -52.07 -58.41 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -45.43 -34.64 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.44 -43.15 98.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.657 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 3.9 mt -69.59 -28.44 65.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.59 -28.01 56.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.19 -21.52 18.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' GLU . 80.1 m-20 -76.35 -62.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.94 27.24 7.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -20.23 61.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 0.776 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.507 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -127.63 38.91 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -84.48 1.6 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 45.4 p-80 -79.43 -26.63 41.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.558 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.561 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -111.17 169.66 6.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 162.45 36.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.12 -55.81 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -36.1 -68.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.507 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -52.37 -52.32 54.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -38.73 -63.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.9 mmt -46.24 -68.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 36' ' ' GLU . 3.9 p -47.46 -47.73 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.72 -41.52 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.6 mt -59.7 -55.44 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.05 -38.42 2.56 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -52.66 54.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 15.8 mtp85 -56.84 -40.63 76.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CH2' ' HD2' ' A' ' 53' ' ' LYS . 35.3 t-105 -69.58 -32.36 71.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.03 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.44 -13.58 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' ILE . 1.0 OUTLIER -84.24 -58.03 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.463 HD13 ' CD ' ' A' ' 53' ' ' LYS . 20.7 pt -43.06 164.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.36 -170.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 51' ' ' SER . 34.6 tp60 -58.28 -56.5 21.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.1 t -33.16 -52.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.446 ' CG ' HD11 ' A' ' 48' ' ' ILE . 1.4 tp-100 -54.59 -57.67 10.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.561 ' HD2' ' CH2' ' A' ' 45' ' ' TRP . 6.8 mmtm -50.3 -43.38 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.77 -55.38 20.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.564 ' CD2' HD13 ' A' ' 59' ' ' LEU . 67.1 t60 -48.16 -67.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.505 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 11.8 m-85 -51.84 -59.17 4.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 53' ' ' LYS . 12.5 ttpt -46.45 -40.19 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.26 -57.75 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 55' ' ' HIS . 12.3 mt -45.83 -48.35 15.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.41 -45.89 18.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.62 -32.36 70.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -75.72 -43.46 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -56.56 -43.25 79.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -74.13 -16.33 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -81.46 -37.13 28.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.423 ' HB3' ' NE2' ' A' ' 70' ' ' HIS . 27.7 mt-30 -76.97 -45.11 28.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.511 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 9.1 t80 -52.51 -19.96 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -71.8 -54.23 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 70' ' ' HIS . 1.3 m -66.72 -46.75 84.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.443 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 28.7 m170 -40.01 -54.53 2.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.511 HD13 ' CZ ' ' A' ' 67' ' ' TYR . 20.6 mt -48.55 -49.64 35.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -44.98 86.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 73' ' ' LEU . 6.2 mt -64.33 -36.34 83.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.553 ' CH2' HD13 ' A' ' 78' ' ' LEU . 12.1 t90 -69.91 -28.19 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 107.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.582 HG23 ' CE2' ' A' ' 86' ' ' TYR . 40.5 t -72.34 -50.01 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -49.07 -25.04 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -87.51 -36.6 17.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.553 HD13 ' CH2' ' A' ' 74' ' ' TRP . 19.7 mt -44.41 126.42 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -54.43 178.31 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.99 -15.61 20.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.562 1.822 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -93.3 -39.53 10.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -70.61 -54.76 10.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -40.17 69.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.03 -28.66 58.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -87.47 -61.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.582 ' CE2' HG23 ' A' ' 75' ' ' VAL . 44.4 t80 -37.86 -46.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -56.51 -48.57 76.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.3 pt-20 -39.6 -38.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.418 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 5.1 t80 -82.55 -38.0 24.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.581 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 4.9 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.7 24.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' LYS . 11.3 mttt -99.19 113.7 26.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -40.07 105.28 0.36 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.46 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.21 18.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.4 ptm -138.69 35.89 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -173.85 138.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -42.86 -48.45 6.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.566 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 19.3 t80 -57.06 -62.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -48.75 -29.27 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 60' ' ' ALA . 6.0 tptt -73.25 -65.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.562 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 16.5 t80 -46.58 -45.73 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 23' ' ' LEU . 66.9 m -52.29 -59.32 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -43.58 -33.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -63.48 -42.87 98.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.562 HD13 ' CZ ' ' A' ' 19' ' ' PHE . 3.9 mt -70.17 -26.85 64.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.7 mt -79.29 -27.42 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -95.49 -21.07 18.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' GLU . 78.2 m-20 -75.96 -58.95 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.92 26.8 7.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -20.42 58.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -126.04 39.15 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -93.88 19.91 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -105.44 -19.9 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.48 170.35 5.73 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.81 38.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -48.3 -58.85 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 34' ' ' LEU . 17.0 tttt -38.62 -31.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.529 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.5 mt-10 -89.5 -44.62 10.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' LEU . 57.3 mtt180 -47.27 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 41' ' ' ILE . 7.1 mmt -45.18 -69.19 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.529 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.7 p -41.81 -54.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 9.4 tp10 -50.7 -40.77 54.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 29' ' ' LEU . 30.5 mt -64.16 -60.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.86 -30.69 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.54 -51.92 15.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.006 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' ILE . 10.8 mtp180 -57.55 -40.5 79.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.566 ' CZ3' ' HA ' ' A' ' 16' ' ' TYR . 45.0 t-105 -61.96 -30.55 71.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 107.985 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -77.47 -16.94 58.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' ILE . 43.9 mtp180 -80.03 -52.45 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.464 ' HB ' ' CB ' ' A' ' 52' ' ' GLN . 19.1 pt -44.34 167.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.7 m -111.13 173.21 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 51' ' ' SER . 23.4 tp60 -44.7 -59.08 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' GLN . 9.2 t -38.39 -39.96 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' CB ' ' HB ' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -72.26 -72.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.557 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 30.5 mttt -39.47 -38.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.43 -54.97 18.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.589 ' CD2' HD21 ' A' ' 59' ' ' LEU . 50.3 t60 -50.0 -68.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.463 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 11.4 m-85 -44.32 -43.54 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 32.5 ttpt -54.46 -29.56 50.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -81.73 -44.19 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.589 HD21 ' CD2' ' A' ' 55' ' ' HIS . 2.4 mm? -49.18 -60.98 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -37.72 -45.4 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.05 -50.67 68.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -52.56 -58.81 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -47.21 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -66.99 -35.59 80.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -61.67 -39.45 91.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -75.12 -45.22 42.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.507 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.1 t80 -55.43 -19.0 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -69.89 -54.44 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 70' ' ' HIS . 1.2 m -66.66 -43.42 90.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.4 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 28.5 m170 -46.11 -52.54 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tp -48.34 -39.5 22.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -37.68 65.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 73' ' ' LEU . 8.0 mt -64.28 -35.94 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.572 ' CZ3' HD12 ' A' ' 78' ' ' LEU . 14.9 t90 -69.01 -29.14 67.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.529 HG21 ' CE3' ' A' ' 74' ' ' TRP . 35.4 t -72.3 -48.61 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -51.55 -23.22 3.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -88.1 -32.45 18.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.928 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.572 HD12 ' CZ3' ' A' ' 74' ' ' TRP . 34.0 mt -49.57 135.42 18.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -65.05 179.37 0.41 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.01 -13.55 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -94.04 -42.69 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.54 -57.76 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -35.58 30.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.93 -31.97 65.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -81.79 -61.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.567 ' CE1' HD11 ' A' ' 90' ' ' ILE . 4.1 t80 -39.74 -48.36 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -44.01 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 pt-20 -46.74 -36.14 6.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.432 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 6.0 t80 -79.46 -34.53 41.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 86' ' ' TYR . 4.4 mm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 162.11 37.7 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.69 136.06 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 105.57 0.49 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.98 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.0 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.564 1.823 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.7 mmm -134.65 -65.34 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -92.04 173.47 7.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.53 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -66.62 -34.2 86.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.551 1.157 . . . . 0.0 111.069 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.572 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 22.4 t80 -60.23 -62.12 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -47.74 -30.27 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -69.93 -62.0 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.654 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 28.6 t80 -50.74 -43.93 58.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' LEU . 74.9 m -54.42 -61.57 2.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.89 -32.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -67.23 -43.97 80.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.654 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.1 mt -71.54 -29.15 64.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.1 mt -75.75 -27.61 58.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -95.38 -20.74 18.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 76.1 m-20 -76.37 -60.36 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.32 29.35 6.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.89 -30.82 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -113.58 40.08 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.01 1.06 56.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 35.0 p-80 -82.13 -24.94 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -110.14 170.77 4.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.79 30.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -53.01 -56.1 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -41.71 -28.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.526 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.8 mt-10 -90.1 -50.81 5.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -38.96 -64.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.5 mmt -46.28 -69.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.2 p -45.2 -49.18 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 2.7 tp10 -53.24 -43.34 67.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.364 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.474 HG13 ' CD1' ' A' ' 29' ' ' LEU . 15.7 mt -58.86 -59.95 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.77 -32.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -72.8 -53.8 10.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 110.032 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 41' ' ' ILE . 25.2 mtp180 -59.32 -30.72 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CZ3' ' HA ' ' A' ' 16' ' ' TYR . 46.0 t-105 -70.45 -33.06 70.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -82.06 -1.98 50.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' ILE . 38.2 mtp180 -90.75 -53.54 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 52' ' ' GLN . 20.5 pt -47.94 174.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.0 m -106.69 -174.32 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' SER . 17.2 tp60 -54.86 -51.75 64.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLN . 10.6 t -36.57 -65.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.47 ' HG3' ' CE2' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -46.14 -71.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.559 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 14.1 mttt -39.57 -44.87 1.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.48 -63.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.589 ' CD2' HD22 ' A' ' 59' ' ' LEU . 11.1 t60 -43.95 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.629 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 9.6 m-85 -47.24 -40.07 15.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -63.54 -25.16 68.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.533 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -84.75 -47.61 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.589 HD22 ' CD2' ' A' ' 55' ' ' HIS . 2.9 mm? -51.81 -53.01 44.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.66 -41.41 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.71 -42.63 95.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -65.91 -42.74 89.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -46.9 79.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -70.93 -23.16 62.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -73.03 -39.72 65.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -74.4 -45.55 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.557 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.1 t80 -53.39 -20.82 4.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 111.02 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -57.07 5.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.98 -40.84 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -48.26 -42.78 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.63 -40.03 82.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -39.05 70.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 73' ' ' LEU . 7.6 mt -60.86 -35.38 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.566 ' CH2' HD11 ' A' ' 78' ' ' LEU . 14.5 t90 -71.7 -28.15 63.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 108.031 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.563 HG22 ' CE3' ' A' ' 74' ' ' TRP . 30.4 t -74.7 -42.76 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -56.57 -18.97 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.6 m -95.95 -23.63 16.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.566 HD11 ' CH2' ' A' ' 74' ' ' TRP . 15.5 mt -57.51 125.67 23.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -54.76 178.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -14.89 20.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -94.09 -37.93 11.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.89 -54.71 9.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -38.74 66.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.85 -29.17 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -84.88 -60.9 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.513 ' CZ ' HD12 ' A' ' 90' ' ' ILE . 4.5 t80 -38.43 -45.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -60.37 -47.67 85.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.7 pt-20 -39.75 -39.89 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 12.8 t80 -77.23 -39.29 49.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.513 HD12 ' CZ ' ' A' ' 86' ' ' TYR . 16.5 mm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 150.95 38.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -119.8 136.45 54.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 100.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 173.45 14.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.462 ' CG ' ' HB2' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.0 151.92 40.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.2 ptm -143.22 64.58 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 171.3 -53.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.06 -41.56 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 12.2 t80 -68.39 -40.27 81.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -67.39 -25.09 65.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -67.86 -61.09 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.648 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 16.9 t80 -54.9 -39.45 68.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 m -58.26 -56.13 26.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -48.8 -32.28 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -65.93 -41.32 91.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.648 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.7 mt -72.1 -26.12 62.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.4 mt -78.39 -27.23 46.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.4 -20.91 18.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.957 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 80.3 m-20 -76.28 -60.82 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.29 28.01 7.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.65 -23.52 58.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -124.1 39.19 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -86.34 1.77 49.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 39.6 p-80 -80.37 -23.14 40.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -114.49 169.36 6.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.04 30.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -45.69 -56.09 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -35.89 -68.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.505 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -52.52 -53.31 47.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' GLU . 1.1 mtm180 -37.8 -62.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.4 mmt -46.91 -68.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 36' ' ' GLU . 3.7 p -47.4 -47.83 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.79 -40.71 73.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.68 -57.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -41.41 -39.93 2.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -51.15 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 0.757 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 14.1 mtp180 -59.01 -45.8 89.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.578 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 35.8 t-105 -59.11 -29.23 67.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.033 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -77.19 -12.95 60.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 44' ' ' ARG . 0.4 OUTLIER -88.62 -52.08 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.474 ' HB ' ' CB ' ' A' ' 52' ' ' GLN . 15.0 pt -40.76 160.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.89 164.77 12.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -41.29 -55.04 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 t -39.19 -44.73 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.474 ' CB ' ' HB ' ' A' ' 48' ' ' ILE . 0.6 OUTLIER -61.32 -72.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.578 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 33.1 mttp -42.86 -38.92 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.12 -57.51 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.563 ' CD2' HD21 ' A' ' 59' ' ' LEU . 10.7 t60 -52.76 -66.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.586 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 10.3 m-85 -45.62 -33.13 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -69.98 -31.6 69.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.541 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -77.41 -44.11 30.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 55' ' ' HIS . 2.7 mm? -51.99 -49.43 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.33 -41.85 9.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.05 -39.02 93.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.35 -42.47 54.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -60.39 -48.1 83.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -69.16 -19.91 64.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -75.85 -45.64 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.416 ' HB3' ' NE2' ' A' ' 70' ' ' HIS . 70.9 mt-30 -70.82 -45.55 64.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.518 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.4 t80 -52.23 -22.86 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -68.77 -58.89 3.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 m -63.22 -40.77 90.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 66' ' ' GLN . 21.2 m170 -46.34 -51.33 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.621 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 tp -50.06 -41.66 48.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.99 -38.9 79.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.454 HD23 ' CE ' ' A' ' 76' ' ' LYS . 8.1 mt -62.18 -40.8 97.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.567 ' CZ3' HD13 ' A' ' 78' ' ' LEU . 20.6 t90 -67.35 -25.26 65.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.517 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 34.3 t -78.41 -40.87 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' CE ' HD23 ' A' ' 73' ' ' LEU . 5.1 mtmt -56.9 -20.17 21.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -94.91 -29.48 14.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.567 HD13 ' CZ3' ' A' ' 74' ' ' TRP . 14.2 mt -49.32 124.72 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -53.91 178.57 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -74.99 -15.85 20.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -93.14 -39.35 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -69.7 -56.4 7.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -40.3 62.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.97 -25.58 30.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -90.83 -60.67 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CE1' HG13 ' A' ' 90' ' ' ILE . 3.0 t80 -39.59 -45.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -58.47 -46.18 87.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.6 pt-20 -41.34 -38.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.408 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 7.9 t80 -80.05 -35.86 36.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.568 HG13 ' CE1' ' A' ' 86' ' ' TYR . 6.2 mm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.28 35.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.62 123.95 51.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 109.87 0.64 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.94 170.06 21.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.12 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -151.14 154.79 37.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 61.24 -81.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . . . 168.96 -30.5 0.16 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.408 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 20.5 t80 -67.52 -38.71 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 13' ' ' MET . 20.3 mt-30 -65.43 -29.54 70.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HG3' ' CD1' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -65.49 -63.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.652 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 23.5 t80 -53.58 -43.7 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' LEU . 56.5 m -54.86 -62.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -42.67 -33.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -65.76 -44.6 85.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.652 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mt -69.6 -27.08 64.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 mt -78.68 -27.51 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 t -95.36 -20.28 19.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' GLU . 82.0 m-20 -77.73 -62.23 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.03 27.28 6.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.64 -16.83 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.55 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -127.68 39.37 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.58 -1.12 57.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.55 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 38.6 p-80 -78.82 -24.56 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -110.26 170.54 5.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.2 Cg_endo -75.05 151.28 39.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.769 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -40.8 -56.28 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.5 tptt -38.89 -41.45 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.52 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.2 mt-10 -76.89 -48.85 17.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -38.18 -62.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.7 mmt -46.96 -69.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.52 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.4 p -46.75 -48.16 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -54.26 -43.49 71.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.462 HG13 ' CD1' ' A' ' 29' ' ' LEU . 16.7 mt -58.07 -59.44 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.23 -32.92 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -72.27 -52.99 13.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' ILE . 18.8 mtp180 -60.54 -30.95 70.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.566 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 43.8 t-105 -70.02 -33.06 71.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.05 -1.75 55.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -89.78 -51.0 5.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 52' ' ' GLN . 21.7 pt -50.74 179.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.2 m -113.1 -174.9 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' SER . 22.5 tp60 -55.24 -50.24 69.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.7 t -37.19 -58.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.568 ' HG3' ' CE2' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -53.28 -72.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.566 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 18.0 mttp -39.83 -41.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -60.56 -54.89 39.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.557 ' CE1' ' HE2' ' A' ' 58' ' ' LYS . 48.3 t60 -59.38 -66.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 7.8 m-85 -43.3 -25.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' O ' ' OE2' ' A' ' 61' ' ' GLU . 18.3 ttpt -88.55 -47.65 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.61 -29.81 70.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 55' ' ' HIS . 47.9 mt -73.54 -44.96 56.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.69 -37.52 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 61' ' ' GLU . 5.5 mm-40 -66.68 -35.05 79.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.43 1.081 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -71.65 -39.56 70.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -45.99 87.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -72.43 -16.3 61.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -81.38 -38.02 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -78.86 -43.82 24.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.535 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -54.5 -19.88 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -70.31 -53.93 14.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -67.71 -41.37 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -48.16 -45.29 33.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.596 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.16 -40.03 73.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -40.4 67.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 73' ' ' LEU . 7.0 mt -59.3 -37.53 77.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.575 ' CE3' HG23 ' A' ' 75' ' ' VAL . 19.4 t90 -67.74 -31.78 71.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.575 HG23 ' CE3' ' A' ' 74' ' ' TRP . 49.8 t -72.7 -45.53 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -55.16 -19.58 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.79 -24.46 16.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.569 HD11 ' CH2' ' A' ' 74' ' ' TRP . 14.1 mt -56.8 126.22 25.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -52.05 179.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -74.98 -17.56 19.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.449 1.763 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -92.01 -50.93 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -56.22 -56.18 24.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.366 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.409 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.11 -40.77 67.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.43 -27.47 16.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.44 -48.29 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.569 ' CE1' HG13 ' A' ' 90' ' ' ILE . 20.6 t80 -53.92 -59.41 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -40.06 75.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.28 -33.25 41.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -87.8 -28.31 21.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.6 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 147.26 33.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -117.69 133.55 55.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.65 107.35 0.77 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -177.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -155.28 139.32 16.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 13' ' ' MET . 4.6 m-20 82.58 -62.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.56 -33.54 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.412 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 17.5 t80 -66.25 -39.49 89.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 13' ' ' MET . 29.5 mt-30 -67.07 -25.0 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -60.63 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.655 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 19.6 t80 -58.42 -41.67 85.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LEU . 23.0 m -54.64 -62.68 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -43.32 -35.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -62.58 -43.91 97.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.655 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.98 -22.97 63.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -81.03 -28.75 35.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.23 -19.9 19.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 85.3 m-20 -77.56 -61.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.62 26.64 7.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.46 -18.94 61.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.545 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -126.79 37.05 4.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -87.31 -1.68 58.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 40.2 p-80 -77.05 -25.15 52.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.616 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -110.21 170.42 5.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 18.4 Cg_endo -74.97 156.95 43.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -44.29 -56.37 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 39' ' ' VAL . 9.5 tptt -40.14 -34.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.4 mm-40 -83.83 -49.95 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' GLU . 4.3 mtt180 -38.07 -63.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.7 mmt -46.29 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.513 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.4 p -46.01 -48.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -54.56 -41.26 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.48 HG13 ' CD1' ' A' ' 29' ' ' LEU . 18.8 mt -61.53 -60.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.7 -32.08 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.16 -54.25 8.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.036 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ILE . 24.6 mtp180 -57.29 -36.43 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 44.4 t-105 -66.35 -33.12 75.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -84.15 -5.4 59.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -87.66 -51.42 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 52' ' ' GLN . 16.3 pt -48.73 175.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.48 -171.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 51' ' ' SER . 21.9 tp60 -59.73 -51.81 68.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' GLN . 28.4 t -37.06 -57.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.547 ' HG3' ' CE2' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -53.09 -72.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 110.346 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 47.1 mttt -40.23 -39.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.19 -61.23 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.576 ' CE1' HD22 ' A' ' 59' ' ' LEU . 25.4 t60 -50.87 -68.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 8.1 m-85 -41.59 -27.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' HIS . 3.6 ttpp -83.85 -45.25 13.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.476 ' C ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -63.52 -40.99 98.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.576 HD22 ' CE1' ' A' ' 55' ' ' HIS . 77.9 mt -59.93 -46.63 88.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.83 -43.41 48.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 61' ' ' GLU . 2.1 mm-40 -61.61 -36.81 81.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -44.65 63.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -40.0 77.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -78.44 -14.98 59.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -81.37 -37.12 28.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -78.84 -42.67 26.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.3 t80 -53.74 -22.08 8.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -69.17 -52.13 31.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.95 -40.97 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -48.6 -38.89 22.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.6 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 tp -63.88 -38.92 92.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -47.95 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 73' ' ' LEU . 8.1 mt -54.45 -34.7 61.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.575 ' CZ3' HD12 ' A' ' 78' ' ' LEU . 19.2 t90 -69.42 -34.92 75.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 107.985 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.572 HG23 ' CE3' ' A' ' 74' ' ' TRP . 42.1 t -68.97 -35.23 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -67.04 -15.22 63.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -101.8 7.63 41.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.575 HD12 ' CZ3' ' A' ' 74' ' ' TRP . 25.4 mt -91.88 147.62 22.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.544 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -73.12 -179.82 0.96 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -15.36 20.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -93.63 -52.52 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -55.47 -56.57 18.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -45.86 71.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.32 -51.04 8.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -65.61 -61.92 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.57 ' CE2' HG22 ' A' ' 75' ' ' VAL . 88.4 t80 -42.36 -50.43 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -36.84 69.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -52.57 -35.83 54.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -84.02 -38.81 20.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.558 HD12 ' CE2' ' A' ' 86' ' ' TYR . 7.7 mm . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 18.4 Cg_endo -75.05 138.98 23.61 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' CE2' ' A' ' 67' ' ' TYR . 6.7 mttt -53.92 -176.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -133.96 78.82 58.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.8 13.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.3 mmm -127.8 -59.19 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -98.06 -177.54 3.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.04 -34.7 61.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.517 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 17.4 t80 -61.1 -64.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -46.97 -30.16 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 1.9 tptp -68.78 -60.84 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.634 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 10.6 t80 -54.86 -44.43 73.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' LEU . 38.8 m -55.39 -56.92 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -44.53 -34.54 2.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -64.34 -43.77 93.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.634 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.3 -24.78 63.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.2 mt -80.6 -27.55 37.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.58 -20.66 18.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 85.0 m-20 -77.56 -62.43 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.56 26.58 7.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.2 -17.62 61.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.561 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -128.23 37.22 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.99 0.45 48.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 43.4 p-80 -78.97 -21.49 47.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.44 HD12 ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -116.02 169.51 6.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 161.77 38.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.24 -56.09 3.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 34' ' ' LEU . 13.7 tptt -36.08 -66.09 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.503 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -54.39 -53.32 55.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -37.95 -62.07 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.7 mmt -47.35 -68.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 36' ' ' GLU . 3.7 p -47.54 -47.5 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.89 -37.81 69.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.7 mt -66.11 -55.51 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.36 -32.84 1.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -53.97 11.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -54.86 -43.7 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.558 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 37.0 t-105 -63.14 -27.5 69.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -81.97 -7.01 59.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' ILE . 13.6 mtp-105 -93.29 -46.31 7.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.461 HD11 ' CE3' ' A' ' 45' ' ' TRP . 26.3 pt -49.04 177.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.97 -174.82 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . 34.2 tp60 -55.92 -53.86 51.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -38.74 -46.3 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -66.08 -59.62 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 13.6 mttt -49.54 -44.18 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -60.38 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.557 ' CD2' HD13 ' A' ' 59' ' ' LEU . 76.9 t60 -48.53 -65.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -46.85 -53.8 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -51.99 -43.74 63.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -61.56 -55.1 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 55' ' ' HIS . 51.4 mt -44.14 -53.37 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.02 -48.6 6.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -55.81 -40.07 72.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' LEU . 8.3 tp10 -69.73 -36.04 75.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.432 ' OE1' ' NZ ' ' A' ' 18' ' ' LYS . 2.0 mt-30 -62.15 -50.16 72.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -68.23 -31.5 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.46 -44.17 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' O ' HG23 ' A' ' 69' ' ' VAL . 36.9 mt-30 -73.78 -44.79 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.6 t80 -55.02 -24.89 26.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -62.76 -54.04 45.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASP . 1.0 OUTLIER -67.47 -41.99 86.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -47.78 -38.02 14.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.559 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.445 ' CD1' ' HG3' ' A' ' 8' ' ' PRO . 12.7 tp -60.97 -35.77 77.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -76.95 -39.05 52.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 73' ' ' LEU . 7.7 mt -61.65 -31.42 71.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.555 ' CZ2' HD22 ' A' ' 78' ' ' LEU . 13.9 t90 -71.71 -32.45 67.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 108.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.549 HG22 ' CE3' ' A' ' 74' ' ' TRP . 25.5 t -67.97 -50.1 62.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -51.43 -22.59 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.35 -31.55 20.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.961 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.555 HD22 ' CZ2' ' A' ' 74' ' ' TRP . 44.1 mt -51.08 141.15 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -67.73 179.39 0.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.02 -14.69 21.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -94.17 -41.96 9.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -68.72 -56.04 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -40.74 64.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.74 -27.12 38.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -88.66 -61.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CE1' HG13 ' A' ' 90' ' ' ILE . 4.2 t80 -38.88 -47.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -61.11 -44.93 96.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -42.42 -37.4 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -82.09 -33.31 29.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.573 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.4 mm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.79 10.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 158.71 15.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 112.89 11.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.59 16.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 179.18 6.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.423 ' HB2' ' NE2' ' A' ' 17' ' ' GLN . 5.7 mmm -121.37 -58.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -100.06 178.9 4.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.36 -42.82 48.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 25.4 t80 -59.09 -51.27 70.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' NE2' ' HB2' ' A' ' 13' ' ' MET . 19.8 mt-30 -55.05 -29.57 57.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -69.47 -68.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.638 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 26.5 t80 -45.74 -42.24 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.8 m -54.75 -49.65 70.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -54.88 -33.9 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -64.54 -42.62 95.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.638 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -71.16 -30.49 66.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -74.27 -27.03 60.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.64 -21.08 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 79.5 m-20 -76.32 -60.75 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.46 ' O ' ' ND2' ' A' ' 30' ' ' ASN . . . 103.24 25.6 7.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.98 -9.7 59.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -134.77 39.41 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 27' ' ' GLY . 12.9 p30 -89.31 4.53 48.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -85.19 -28.65 25.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.547 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -111.36 162.37 21.25 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 162.11 37.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.487 1.783 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 1.1 tm? -45.8 -57.89 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 10.6 tptm -39.48 -29.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' LEU . 7.4 mm-40 -94.36 -43.68 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 91.4 mtt180 -49.13 -54.31 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.9 mmt -54.89 -16.42 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 1.6 t -91.02 -58.73 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.24 -37.73 37.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 29' ' ' LEU . 40.7 mt -62.65 -59.18 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.8 -33.99 0.46 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -55.63 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -55.46 -36.94 67.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.593 ' CH2' ' HA ' ' A' ' 53' ' ' LYS . 47.7 t-105 -66.02 -32.98 74.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.86 -13.47 60.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' ILE . 23.4 mtp85 -82.68 -59.41 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 47' ' ' ARG . 15.4 pt -40.53 160.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 m -93.92 -175.53 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' SER . 10.0 tp60 -56.94 -54.66 44.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' GLN . 28.4 t -37.78 -64.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -46.47 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.593 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 4.1 mttm -41.62 -39.85 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.62 -56.0 16.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.667 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 50.9 t60 -53.15 -68.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.485 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 7.1 m-85 -38.47 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' HIS . 11.9 ttmt -83.15 -48.73 10.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -59.12 -33.73 71.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.667 ' CD1' ' CD2' ' A' ' 55' ' ' HIS . 79.2 mt -67.01 -45.23 78.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.8 -32.32 8.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' A' ' 57' ' ' LYS . 4.7 mm-40 -72.79 -33.43 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -77.18 -44.36 30.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -40.86 60.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -75.85 -21.12 57.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.24 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -77.67 -39.11 46.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 69' ' ' VAL . 72.9 mm-40 -76.4 -44.94 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.517 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.8 t80 -49.38 -25.17 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -51.53 50.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -69.15 -40.72 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -50.08 -38.65 39.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.55 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 tp -64.26 -35.81 82.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -35.28 54.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.418 ' N ' HD21 ' A' ' 73' ' ' LEU . 6.3 mt -65.06 -34.01 77.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.566 ' CH2' HD11 ' A' ' 78' ' ' LEU . 9.5 t90 -69.8 -28.49 65.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.545 HG22 ' CE3' ' A' ' 74' ' ' TRP . 19.3 t -72.55 -40.84 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -57.06 -21.17 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 -28.48 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.972 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.566 HD11 ' CH2' ' A' ' 74' ' ' TRP . 18.8 mt -52.09 124.96 14.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -53.77 178.39 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 -14.33 21.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.38 -41.38 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.36 -55.82 8.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -37.21 53.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.23 64.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -82.55 -63.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.536 ' CE1' HG13 ' A' ' 90' ' ' ILE . 4.7 t80 -38.43 -46.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -59.42 -47.18 86.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.0 pt-20 -40.8 -39.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.424 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 9.1 t80 -78.47 -36.99 44.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.536 HG13 ' CE1' ' A' ' 86' ' ' TYR . 9.4 mm . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.64 38.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -113.29 117.23 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.42 102.18 0.26 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.449 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.1 Cg_endo -75.04 -175.81 2.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.02 -64.26 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 16' ' ' TYR . 2.3 p30 -109.4 147.0 33.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -40.4 -28.74 0.2 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.584 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 12.4 t80 -61.05 -64.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -51.88 -28.32 15.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 2.8 tttt -66.64 -61.32 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.633 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 4.5 t80 -57.87 -47.78 81.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.6 m -43.35 -49.54 6.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -32.26 34.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.1 tt0 -61.52 -50.97 70.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.633 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 5.0 mt -58.4 -17.06 17.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -92.07 -19.6 22.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.41 -31.71 12.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -83.34 -9.46 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.95 13.2 59.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.49 -37.64 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -135.4 41.83 2.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -90.23 18.83 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.586 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 31.0 p-80 -101.07 -17.79 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.586 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -117.39 169.99 6.72 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.5 Cg_endo -75.0 155.93 42.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' ARG . 4.9 tp -44.8 -54.88 5.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -29.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 3.9 mt-10 -95.11 -36.02 11.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' LEU . 67.0 mtt180 -57.31 -69.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.9 mmt -40.56 -65.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 36' ' ' GLU . 2.4 p -43.06 -59.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -54.3 -41.92 69.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.486 HG13 ' CD1' ' A' ' 29' ' ' LEU . 53.4 mt -58.08 -54.34 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.76 -39.56 1.91 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.432 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -61.8 -44.3 97.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -61.62 -52.83 62.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.584 ' CE3' ' HA ' ' A' ' 16' ' ' TYR . 45.4 t-105 -56.66 -31.03 64.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -79.1 -21.37 46.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.337 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 48' ' ' ILE . 8.3 mtt180 -79.5 -52.78 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.47 HD12 ' CE3' ' A' ' 45' ' ' TRP . 9.8 pt -45.92 170.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.65 -167.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 51' ' ' SER . 18.4 tp60 -71.06 -51.35 25.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' GLN . 48.1 t -38.2 -54.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' OE1' ' CD1' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -56.71 -71.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 15.9 mttt -39.37 -43.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.34 -50.04 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.525 ' CD2' HD11 ' A' ' 59' ' ' LEU . 75.5 t60 -57.34 -62.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 17.5 m-85 -50.17 -58.27 5.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.466 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 25.3 ttpt -46.78 -42.89 17.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.99 -56.83 13.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 55' ' ' HIS . 63.3 mt -44.91 -55.4 5.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.16 -47.05 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.11 -42.93 91.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -60.64 -39.98 90.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -54.81 40.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -62.55 -20.29 64.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -75.47 -42.39 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -74.3 -44.67 51.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.52 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.4 t80 -52.87 -22.08 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -57.49 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -64.31 -40.23 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -47.67 -48.74 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.583 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 tp -52.64 -41.66 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -42.16 69.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 73' ' ' LEU . 6.9 mt -59.49 -37.89 79.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.564 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 18.5 t90 -70.05 -29.86 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.529 HG23 ' CE3' ' A' ' 74' ' ' TRP . 29.5 t -72.02 -49.1 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -51.51 -22.05 2.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 m -89.91 -32.06 17.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.564 HD11 ' CZ3' ' A' ' 74' ' ' TRP . 26.0 mt -48.98 131.6 18.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.515 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.94 178.66 0.21 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.949 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.02 -14.83 20.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -93.41 -41.92 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -68.69 -57.54 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -40.28 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.93 -28.51 51.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -86.96 -60.12 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.553 ' CE1' HG13 ' A' ' 90' ' ' ILE . 3.4 t80 -41.24 -47.69 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -40.24 89.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -48.37 -38.21 18.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -79.92 -32.34 40.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.553 HG13 ' CE1' ' A' ' 86' ' ' TYR . 8.0 mm . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.29 35.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -113.88 142.42 46.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.67 108.63 1.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.02 168.77 24.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.49 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 mmm -120.98 -42.85 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -124.34 168.98 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.534 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -61.26 -25.77 65.16 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.123 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.562 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 10.9 t80 -68.48 -67.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -49.02 -27.62 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -64.6 -56.56 13.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 8.1 t80 -66.58 -47.46 72.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' LEU . 20.0 m -43.6 -57.54 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -44.59 -28.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -67.16 -43.78 81.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.639 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 6.6 mt -71.51 -12.31 61.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 mt -93.86 -26.54 16.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.81 -20.14 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 92.7 m-20 -77.6 -61.08 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.37 26.5 6.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -21.42 60.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -123.96 39.67 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.449 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -88.85 10.84 19.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -93.3 -16.97 24.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 HD12 ' CB ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -120.2 166.21 15.85 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.25 41.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' O ' ' C ' ' A' ' 35' ' ' LYS . 3.1 tm? -43.8 -61.97 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 34' ' ' LEU . 8.3 tptt -35.29 -35.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.526 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.7 mt-10 -87.42 -47.13 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' LEU . 91.4 mtt180 -43.39 -59.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 41' ' ' ILE . 88.9 mmm -49.7 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.9 p -42.98 -48.1 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.11 -42.6 77.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 29' ' ' LEU . 13.9 mt -58.39 -53.86 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.76 -37.23 1.26 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -45.12 87.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -63.89 -52.0 61.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 36.6 t-105 -58.46 -28.4 65.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -84.22 -18.18 37.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' ILE . 65.4 mtt-85 -78.05 -55.12 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 52' ' ' GLN . 24.1 pt -47.48 173.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -107.46 -174.41 2.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' SER . 16.1 tp60 -54.15 -51.85 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.8 t -36.41 -64.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -46.61 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 81.1 mttt -39.82 -53.53 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.73 -45.37 70.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.492 ' CD2' HD11 ' A' ' 59' ' ' LEU . 58.2 t60 -60.56 -59.63 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 21.2 m-85 -54.0 -63.29 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.47 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 10.4 ptmt -43.42 -40.85 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.23 -59.85 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.492 HD11 ' CD2' ' A' ' 55' ' ' HIS . 63.3 mt -41.25 -57.49 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -38.94 -52.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.11 -45.44 64.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -72.76 -34.97 67.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.46 ' CG ' ' HB3' ' A' ' 11' ' ' PRO . 1.8 tt0 -61.87 -41.96 98.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -76.48 -22.83 54.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -67.66 -40.97 84.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -74.1 -44.79 52.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.554 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 2.2 t80 -48.92 -28.46 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -65.34 -59.63 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -63.35 -41.64 93.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -48.31 -42.41 31.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.583 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.7 tp -59.14 -42.34 90.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -67.28 -48.01 68.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 73' ' ' LEU . 6.9 mt -52.8 -29.37 27.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.56 ' CZ3' HD13 ' A' ' 78' ' ' LEU . 33.7 t90 -76.11 -30.22 58.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.575 HG22 ' CE2' ' A' ' 86' ' ' TYR . 86.0 t -78.1 -33.82 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -68.95 -7.59 36.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -111.42 -11.19 14.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.56 HD13 ' CZ3' ' A' ' 74' ' ' TRP . 12.3 mt -71.42 126.7 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -47.2 174.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.934 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.01 -7.77 19.45 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -94.65 -55.49 3.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -56.36 22.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.511 ' CZ ' ' O ' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -50.12 -47.2 54.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 88' ' ' GLU . . . -53.53 -34.87 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.2 -51.3 9.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CE2' HG22 ' A' ' 75' ' ' VAL . 58.4 t80 -58.53 -57.68 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -31.25 68.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' CB ' ' O ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -61.33 -33.54 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -86.08 -34.14 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -174.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.98 26.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.0 103.28 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.62 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -75.05 173.82 13.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.36 2.33 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.438 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 8.6 ptp -146.41 147.88 31.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 74.83 -60.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.14 -23.58 2.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.113 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.533 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 9.0 t80 -65.87 -41.16 91.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' NE2' ' HG2' ' A' ' 13' ' ' MET . 16.1 mt-30 -65.83 -30.02 70.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.162 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -58.45 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.648 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 20.0 t80 -56.57 -39.72 73.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' LEU . 24.1 m -57.13 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.23 -31.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -66.39 -42.8 87.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.648 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mt -70.85 -30.88 67.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.49 -27.21 60.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -95.4 -22.27 17.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 76.8 m-20 -75.14 -60.33 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.08 29.71 6.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.08 -17.85 56.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.539 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -126.01 39.28 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.63 10.91 21.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 31.4 p-80 -92.11 -21.51 20.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.638 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -115.22 168.64 7.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.05 155.71 42.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -40.41 -56.38 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -35.91 -55.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -67.34 -49.15 65.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' GLU . 61.5 mtt180 -38.64 -61.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.2 mmt -48.49 -69.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.536 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.2 p -46.48 -48.7 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.48 -41.84 63.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.47 HG13 ' CD1' ' A' ' 29' ' ' LEU . 17.3 mt -62.03 -61.87 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.93 -31.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.11 -54.82 7.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' ILE . 15.5 mtp85 -55.57 -36.19 66.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.558 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 41.7 t-105 -65.34 -31.84 73.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.001 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -2.58 58.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.5 mtp85 -91.62 -50.91 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 52' ' ' GLN . 22.7 pt -49.49 177.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.33 -173.84 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' SER . 20.5 tp60 -56.68 -49.82 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLN . 7.1 t -37.53 -62.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.483 ' HG3' ' CE2' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -48.68 -71.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 52.7 mttt -40.07 -45.81 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.22 -56.26 23.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.568 ' CE1' HD23 ' A' ' 59' ' ' LEU . 17.6 t60 -54.42 -65.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 12.3 m-85 -50.58 -26.11 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 9.6 ttpt -75.89 -24.05 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.539 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -87.31 -42.07 13.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.568 HD23 ' CE1' ' A' ' 55' ' ' HIS . 3.3 mm? -54.17 -57.29 11.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -40.1 -46.12 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 4.2 mt-10 -57.85 -47.68 81.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -63.91 -39.18 93.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -63.11 -48.24 79.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -67.58 -23.61 65.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -71.13 -43.99 66.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.411 ' O ' HG22 ' A' ' 69' ' ' VAL . 32.2 mt-30 -71.69 -44.54 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.62 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 4.2 t80 -53.97 -24.97 18.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -51.14 65.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -71.55 -40.4 71.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -48.83 -45.27 40.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 tp -57.69 -40.37 79.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.65 -39.05 64.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 73' ' ' LEU . 5.8 mt -64.78 -38.88 92.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.555 ' CZ3' HD13 ' A' ' 78' ' ' LEU . 13.1 t90 -66.85 -31.93 72.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 86' ' ' TYR . 24.9 t -67.36 -50.17 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -49.34 -24.29 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.52 -33.92 21.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.555 HD13 ' CZ3' ' A' ' 74' ' ' TRP . 15.4 mt -50.06 122.69 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -51.0 178.62 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.957 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 -16.18 20.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -92.09 -41.47 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.83 -57.87 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -35.73 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.17 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.06 -50.75 7.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CE1' HG21 ' A' ' 75' ' ' VAL . 22.8 t80 -55.15 -59.74 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -35.38 70.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -33.23 67.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -88.07 -28.2 21.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.54 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.4 mm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.79 162.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.48 117.71 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.21 149.39 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.41 -54.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.766 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.52 165.11 24.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.82 -87.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 151.15 39.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -115.81 131.32 56.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.81 101.53 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.95 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -174.15 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.76 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 mmm -124.11 -63.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -89.63 -65.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.76 -30.07 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.448 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 9.6 t80 -62.28 -32.44 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -72.02 -23.89 61.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -68.79 -58.46 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.653 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 14.6 t80 -54.03 -40.91 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LEU . 39.6 m -60.73 -59.57 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -42.16 -34.55 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -65.79 -45.24 83.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.653 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.9 mt -69.46 -19.58 63.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.41 -27.44 22.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -95.64 -21.06 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 86.1 m-20 -76.54 -60.64 2.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.49 28.88 6.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -29.95 62.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.773 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.457 ' CB ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -116.23 40.02 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -87.2 7.37 28.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 44.3 p-80 -88.02 -22.06 24.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.636 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.503 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -114.0 169.16 6.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.0 158.73 42.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -40.22 -55.22 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' LEU . 8.7 tptm -36.99 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.515 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.3 mt-10 -51.28 -50.37 59.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -41.52 -62.05 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.417 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 4.7 mmt -48.14 -68.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.515 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 4.0 p -46.08 -49.21 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.454 ' OE2' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -54.98 -40.84 70.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.9 mt -62.5 -63.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.51 -36.2 0.4 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -56.31 7.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -52.04 -38.75 58.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.558 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 27.2 t-105 -66.25 -30.83 71.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -79.5 -1.81 39.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -96.16 -51.32 4.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 pt -46.76 171.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.45 173.6 6.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -48.2 -50.53 28.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.0 t -38.87 -66.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.57 -72.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 45.2 mttp -40.99 -50.11 3.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.48 -49.71 69.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.565 ' CD2' HD13 ' A' ' 59' ' ' LEU . 74.2 t60 -56.19 -59.36 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.54 -33.44 60.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -69.14 -40.37 78.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.6 -46.02 77.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 55' ' ' HIS . 50.5 mt -56.8 -48.79 77.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.34 -39.12 6.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.22 -39.5 89.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -74.65 -43.31 55.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -49.51 76.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -67.13 -21.89 65.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -76.61 -45.29 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -69.52 -46.4 66.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -50.94 -25.0 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -57.34 7.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -66.32 -41.01 88.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -48.36 -42.38 31.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.591 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 tp -58.45 -38.5 77.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.19 -41.29 61.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 73' ' ' LEU . 7.9 mt -59.7 -34.24 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.57 ' CZ3' HD13 ' A' ' 78' ' ' LEU . 21.0 t90 -72.72 -27.84 62.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.024 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.505 HG23 ' CE3' ' A' ' 74' ' ' TRP . 23.3 t -74.57 -45.57 44.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -52.65 -21.98 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 m -91.42 -33.64 15.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.57 HD13 ' CZ3' ' A' ' 74' ' ' TRP . 17.4 mt -46.09 124.97 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -52.5 178.8 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -14.92 20.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -94.15 -40.91 9.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -70.25 -53.44 16.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -37.81 64.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.31 -29.96 67.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -83.58 -61.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.546 ' CE1' HG13 ' A' ' 90' ' ' ILE . 5.0 t80 -40.24 -46.21 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -60.0 -44.13 94.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.3 pt-20 -42.81 -37.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.457 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 4.3 t80 -81.13 -32.88 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.546 HG13 ' CE1' ' A' ' 86' ' ' TYR . 6.0 mm -59.8 -65.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.7 t -46.1 -49.13 16.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -50.53 -53.29 31.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.4 OUTLIER -78.7 175.47 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 4.2 ptp180 44.99 -169.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.62 97.95 2.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.6 m -42.44 144.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.52 121.63 7.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.41 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.797 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.1 t -144.05 171.58 14.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.1 t -105.1 -59.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.927 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.46 162.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.35 81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.79 -162.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.79 -54.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m 61.37 159.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.67 -92.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 127.49 10.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 159.64 14.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 112.23 7.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.09 168.7 24.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -164.99 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.793 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.8 mtm -153.24 160.57 42.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 61.54 -80.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 13' ' ' MET . . . 162.77 -27.22 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.3 -44.01 76.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -57.2 -30.01 64.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -65.97 -60.82 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.638 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 27.9 t80 -55.81 -44.57 77.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.6 m -54.25 -59.51 4.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -45.41 -34.03 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -64.77 -44.18 90.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.638 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mt -70.15 -19.32 63.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -86.46 -27.4 24.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.66 -21.83 17.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 88.5 m-20 -75.78 -60.54 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.03 28.53 6.49 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.35 -18.38 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -125.86 40.03 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -91.22 8.7 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -91.79 -8.16 47.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.93 166.92 22.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.06 40.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.1 tm? -45.7 -58.45 3.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' LEU . 47.8 tptt -38.28 -31.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.55 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.0 mt-10 -92.32 -45.85 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -43.22 -61.37 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 110.341 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.9 mmt -49.17 -69.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.55 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.8 p -42.21 -50.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 4.1 tp10 -52.05 -43.78 63.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.46 HG13 ' CD1' ' A' ' 29' ' ' LEU . 16.8 mt -58.94 -59.68 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.62 -31.85 0.09 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.41 -55.02 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.953 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -56.51 -41.54 76.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 44.6 t-105 -66.06 -31.7 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -76.58 -10.92 59.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -89.07 -52.38 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.534 ' CD1' ' CE3' ' A' ' 45' ' ' TRP . 16.9 pt -41.99 162.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.51 -172.24 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' SER . 11.7 tp60 -59.01 -52.15 67.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLN . 40.9 t -38.36 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' HIS . 1.3 mp0 -42.53 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 16.6 mttp -39.22 -50.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -46.99 79.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' GLN . 77.7 t60 -58.02 -61.59 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.91 -33.98 65.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -69.04 -42.56 76.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.47 -46.1 81.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 78.6 mt -57.9 -44.49 86.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.65 -73.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 19.4 pt-20 -41.43 -40.4 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 2.4 tt0 -63.66 -50.1 70.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -43.81 44.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -71.85 -19.39 61.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' GLU . 13.0 ttt180 -83.51 -35.14 25.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 19.2 mt-30 -84.49 -42.43 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.7 t80 -50.81 -20.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.86 -59.13 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.9 m -58.02 -40.48 76.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 23.8 m170 -42.54 -50.01 5.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.9 mt -52.33 -48.95 65.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.3 -45.05 80.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 73' ' ' LEU . 4.7 mt -65.72 -42.0 91.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.568 ' CE3' HG23 ' A' ' 75' ' ' VAL . 8.0 t90 -63.59 -30.91 71.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.568 HG23 ' CE3' ' A' ' 74' ' ' TRP . 49.5 t -69.35 -51.19 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.45 -23.6 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.3 t -88.21 -32.58 18.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.46 ' CD1' ' CH2' ' A' ' 74' ' ' TRP . 15.2 mt -50.04 124.64 10.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -49.88 179.41 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 -15.66 20.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -94.22 -52.05 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.23 -53.42 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.71 -44.15 85.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.03 40.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.79 -55.42 5.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.566 ' CE2' HG22 ' A' ' 75' ' ' VAL . 72.3 t80 -49.67 -60.83 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -44.74 76.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -31.98 4.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -89.84 -37.95 14.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.469 HD12 ' CZ ' ' A' ' 86' ' ' TYR . 2.5 mm -57.34 -59.77 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 t -40.4 -44.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -98.12 67.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.77 -69.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -58.61 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -87.15 176.52 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 t -179.02 85.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -152.03 149.7 21.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -62.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.63 175.88 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.74 159.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.17 135.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.06 118.69 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.89 163.59 25.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.03 101.35 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -171.95 145.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.4 -100.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.67 10.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.73 143.0 27.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -57.07 109.55 1.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.564 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.01 173.58 14.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.449 1.763 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -74.99 166.11 29.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.415 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -116.59 -18.42 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.415 ' N ' ' HG3' ' A' ' 13' ' ' MET . 6.5 p30 -139.58 149.44 43.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -44.16 -43.51 7.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.431 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 20.8 t80 -53.18 -68.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' NE2' ' HG2' ' A' ' 13' ' ' MET . 10.6 mt-30 -42.86 -37.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 2.4 tptt -65.18 -58.3 6.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 2.3 t80 -55.17 -42.72 73.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.2 m -57.47 -57.46 12.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.17 -32.97 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -63.8 -43.29 96.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 3.6 mt -71.11 -27.4 63.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.95 -27.92 57.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.44 -22.6 17.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 82.8 m-20 -75.72 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.89 28.21 6.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.35 -17.97 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.556 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -126.7 37.6 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -2.78 51.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 44.8 p-80 -75.05 -16.66 60.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -122.57 168.33 12.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 160.52 39.84 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -40.88 -56.3 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LEU . 7.4 tptm -35.76 -68.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.4 mt-10 -52.48 -52.6 53.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -38.51 -62.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.9 mmt -46.78 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.9 p -47.39 -47.18 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -58.06 -39.79 79.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' ARG . 23.9 mt -61.2 -55.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.74 3.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -52.9 47.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -55.96 -38.53 70.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 53' ' ' LYS . 45.6 t-105 -66.52 -33.04 74.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -81.14 -9.42 59.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -90.75 -42.45 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.425 ' CG1' ' O ' ' A' ' 45' ' ' TRP . 14.7 pt -51.44 -177.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.21 -179.53 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -54.14 -53.43 53.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.6 t -39.09 -49.1 1.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -63.97 -65.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 17.8 mttp -44.05 -48.37 8.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.64 -61.89 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.571 ' CD2' HD12 ' A' ' 59' ' ' LEU . 75.6 t60 -46.96 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -45.53 -44.99 13.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 14.4 ttmt -58.0 -36.68 73.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -70.27 -50.75 36.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 55' ' ' HIS . 48.3 mt -49.03 -52.72 23.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -39.99 -48.13 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.42 -49.5 67.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -50.51 -57.31 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.17 -43.27 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -71.05 -36.77 72.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 ttt85 -58.41 -44.88 89.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.02 -45.9 55.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.564 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 11.8 t80 -48.07 -49.54 31.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -25.46 61.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -87.17 -47.99 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -42.94 -48.45 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.613 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 74' ' ' TRP . 73.1 mt -45.37 -65.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.72 -45.83 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.94 -41.93 98.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.574 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 7.4 t90 -66.19 -34.77 78.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.555 HG22 ' CE3' ' A' ' 74' ' ' TRP . 50.3 t -63.46 -52.9 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -50.2 -23.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.92 -31.2 20.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.574 HD11 ' CZ3' ' A' ' 74' ' ' TRP . 22.8 mt -52.81 132.07 36.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.92 178.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -74.93 -15.87 20.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -94.24 -42.48 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.0 -59.02 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -48.36 50.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.93 -29.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.76 -48.48 10.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.475 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 23.5 t80 -55.57 -60.17 3.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -39.1 71.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.462 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -52.01 -38.09 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 5.6 t80 -80.51 -33.89 36.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.465 HD12 ' CZ ' ' A' ' 86' ' ' TYR . 2.3 mm -57.62 -51.38 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 t -47.16 -49.02 23.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 16.5 p30 -92.18 59.39 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HD3' ' CE2' ' A' ' 89' ' ' TYR . 13.3 ttpp -150.05 -57.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.52 167.08 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tttp 58.7 174.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 t -114.15 -60.5 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 138.4 98.96 0.46 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.93 3.91 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.421 1.748 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.82 124.94 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 p -96.81 -57.56 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -155.66 106.58 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -115.41 -58.82 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.74 -152.26 21.43 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.69 -60.12 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.9 163.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.54 119.99 1.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.99 130.7 13.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.89 157.51 18.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 114.78 38.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.417 ' CB ' ' HB3' ' A' ' 63' ' ' GLN . 18.3 Cg_endo -75.01 173.84 13.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -168.22 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 15' ' ' GLY . 6.4 mtm -157.48 159.22 37.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 2.7 m-20 66.53 -73.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . 159.13 -31.03 0.44 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 6.7 t80 -64.85 -45.78 84.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -62.35 -25.84 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -67.99 -61.1 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 10.7 t80 -54.05 -44.46 71.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 23' ' ' LEU . 60.6 m -50.83 -58.17 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -43.42 -35.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -61.42 -43.82 98.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.583 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 3.2 mt -69.15 -29.71 67.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.46 -27.92 59.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.367 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -19.86 19.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' GLU . 79.4 m-20 -78.11 -60.23 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.78 25.32 8.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.85 -17.61 60.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.496 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -123.67 40.05 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -89.16 9.31 26.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 50.7 p-80 -87.9 -21.04 25.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -123.12 165.54 21.85 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.3 Cg_endo -75.04 160.08 40.45 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 37' ' ' ARG . 4.6 tp -45.33 -56.94 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 5.3 tptm -39.86 -29.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 34' ' ' LEU . 4.4 mm-40 -94.94 -39.19 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' LEU . 82.7 mtt180 -53.86 -53.28 54.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 37.8 mmm -55.82 -15.23 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 1.6 t -91.06 -57.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.31 -40.45 59.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.258 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.496 HG13 ' CD1' ' A' ' 29' ' ' LEU . 30.4 mt -57.52 -59.92 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.62 -36.08 0.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -70.33 -53.26 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -55.59 -43.57 76.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 16' ' ' TYR . 41.1 t-105 -61.32 -30.38 70.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 107.965 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -82.83 -6.76 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' ILE . 27.5 mtp180 -95.57 -42.11 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 47' ' ' ARG . 19.7 pt -50.12 179.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -115.67 176.72 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -51.23 -52.68 42.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.6 t -39.84 -46.1 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -66.66 -63.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 35.4 mttt -46.86 -49.58 19.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.04 -60.9 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.424 ' NE2' HD11 ' A' ' 59' ' ' LEU . 78.7 t60 -47.74 -64.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.57 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -48.93 -41.1 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.468 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 5.6 ttpt -62.51 -52.35 63.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.13 -48.57 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.445 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 87.2 mt -53.55 -56.53 16.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.52 -44.81 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.79 -47.48 77.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -57.45 -60.18 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HB3' ' CB ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -42.41 -39.7 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -75.2 -37.49 61.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' GLU . 6.2 ttt180 -55.06 -55.6 29.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.423 ' N ' ' HG2' ' A' ' 65' ' ' ARG . 3.4 mp0 -62.3 -47.61 83.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -46.27 -50.89 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -30.8 61.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 66' ' ' GLN . 15.8 t -82.82 -58.06 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -47.35 -50.72 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 12.7 tp -47.95 -43.28 29.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -43.24 80.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.94 -32.56 72.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.576 ' CH2' HD12 ' A' ' 78' ' ' LEU . 19.5 t90 -70.75 -29.55 65.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.519 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 44.2 t -72.87 -47.87 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -53.19 -20.78 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.75 -27.86 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.576 HD12 ' CH2' ' A' ' 74' ' ' TRP . 13.0 mt -54.07 125.01 17.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.529 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -50.95 179.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.976 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.05 -17.02 19.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -94.12 -47.41 6.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.2 -52.68 64.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.429 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -58.61 -40.34 82.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.11 -33.47 26.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.78 -51.95 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CE1' HG13 ' A' ' 90' ' ' ILE . 22.7 t80 -52.16 -59.91 3.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -40.27 74.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -33.22 53.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.255 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -87.38 -28.96 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.559 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.5 mm -62.08 -65.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -40.05 -48.04 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.57 57.39 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -154.15 -52.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -66.18 -57.76 6.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.03 -68.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.01 166.7 13.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -132.65 109.34 0.83 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.8 29.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.1 m -117.14 -56.17 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.7 t 64.25 144.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p -172.52 133.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.08 140.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.045 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.03 120.32 1.43 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.38 111.97 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 0.0 110.047 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 179.71 159.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.36 -95.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.09 33.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 147.44 45.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 107.67 0.9 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -74.99 165.84 30.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.63 2.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.406 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 7.1 mtp -156.12 148.45 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 13' ' ' MET . 8.4 m-80 74.77 -58.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 141.2 -43.23 1.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -57.19 -43.82 83.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -60.17 -30.79 69.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -61.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 3.4 t80 -50.99 -42.08 60.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 m -57.94 -56.48 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -47.15 -33.37 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.76 -43.08 97.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.9 -26.01 63.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.0 mt -79.82 -27.36 40.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.37 -20.92 18.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' GLU . 82.4 m-20 -76.64 -61.1 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.376 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' ND2' ' A' ' 30' ' ' ASN . . . 103.65 25.63 7.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.9 -18.64 60.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.518 ' CB ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.79 40.47 3.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 27' ' ' GLY . 8.2 p30 -87.45 -2.35 58.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.509 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 40.3 p-80 -77.54 -26.72 51.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD13 ' CB ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -108.16 166.79 10.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.99 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -46.95 -59.06 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 34' ' ' LEU . 14.5 tttm -33.75 -70.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 8.1 mt-10 -52.14 -52.64 50.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -38.52 -62.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.1 mmt -47.31 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 36' ' ' GLU . 3.5 p -46.99 -47.54 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.57 -34.24 72.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 37' ' ' ARG . 23.3 mt -69.69 -54.36 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.7 -38.91 7.85 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -54.33 33.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -55.16 -38.45 68.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.58 ' CH2' ' HG2' ' A' ' 53' ' ' LYS . 41.2 t-105 -63.76 -29.26 70.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 107.988 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -81.07 -1.8 45.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 48' ' ' ILE . 37.2 mtp85 -94.0 -51.98 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.472 ' HB ' ' CB ' ' A' ' 52' ' ' GLN . 18.9 pt -42.94 164.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.0 p -106.95 164.91 11.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' SER . 18.8 tp60 -39.07 -58.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' GLN . 9.1 t -38.57 -44.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.472 ' CB ' ' HB ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -65.39 -72.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.58 ' HG2' ' CH2' ' A' ' 45' ' ' TRP . 46.7 mttp -38.89 -43.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -56.92 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CD2' HD12 ' A' ' 59' ' ' LEU . 77.7 t60 -47.92 -64.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -48.61 -57.77 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 14' ' ' ASN . 4.1 ttpp -47.54 -46.15 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -59.05 -56.6 20.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.566 HD12 ' CD2' ' A' ' 55' ' ' HIS . 47.4 mt -44.48 -56.93 3.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.2 -46.78 2.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -58.32 -45.87 87.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.1 tt0 -66.07 -42.38 89.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -50.95 66.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.09 -33.0 74.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -67.66 -44.54 77.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.497 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 33.7 mt-30 -69.08 -46.68 67.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 2.0 t80 -50.4 -22.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -72.83 -68.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 m -49.45 -41.03 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.087 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 19.7 m170 -43.29 -56.69 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.596 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 75' ' ' VAL . 67.7 mt -46.08 -48.41 17.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -46.82 81.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -62.9 -43.66 98.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.364 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.571 ' CZ2' HD23 ' A' ' 78' ' ' LEU . 8.6 t90 -64.73 -34.12 77.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.007 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.569 HG21 ' CE3' ' A' ' 74' ' ' TRP . 40.7 t -64.13 -51.4 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -48.25 -25.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 75' ' ' VAL . 23.3 t -84.75 -36.1 21.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.571 HD23 ' CZ2' ' A' ' 74' ' ' TRP . 20.0 mt -47.4 126.34 9.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.508 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -55.34 178.21 0.11 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.08 -14.08 21.06 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -94.13 -40.29 10.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.0 -57.38 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -38.15 49.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.48 -30.52 41.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -84.89 -61.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.527 ' CZ ' HD12 ' A' ' 90' ' ' ILE . 21.4 t80 -37.51 -50.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -57.41 -47.29 82.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.4 pt-20 -38.89 -43.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.539 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 6.5 t80 -76.53 -38.75 54.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.527 HD12 ' CZ ' ' A' ' 86' ' ' TYR . 13.8 mm -54.11 -66.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 t -42.03 -57.82 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -42.71 -51.23 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.539 ' HD2' ' CE1' ' A' ' 89' ' ' TYR . 0.4 OUTLIER -87.31 -173.07 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER 47.46 -175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 147.69 43.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.3 t -144.83 -51.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.007 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -57.12 121.38 25.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -174.53 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.52 162.94 32.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.04 171.24 7.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.572 1.17 . . . . 0.0 111.05 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -144.94 120.3 10.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.6 120.14 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.46 145.73 5.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -175.44 127.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.99 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.5 m -86.79 83.73 7.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.85 -98.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.01 27.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 144.53 39.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 109.59 1.86 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.96 172.86 15.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 164.1 34.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -103.94 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -88.38 174.27 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.55 -31.49 76.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.405 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 23.6 t80 -62.46 -67.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -42.66 -29.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -70.65 -62.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.66 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 8.8 t80 -52.52 -44.6 65.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -57.41 -46.76 83.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -53.08 -35.07 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -64.18 -43.42 95.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.66 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 3.8 mt -69.62 -25.12 63.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.3 mt -81.55 -27.76 34.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 t -95.15 -20.33 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' GLU . 79.6 m-20 -76.79 -60.28 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.47 24.19 8.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.58 -23.82 62.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -125.48 40.15 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -89.4 2.13 54.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -84.44 -13.97 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.61 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -123.6 167.97 13.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.59 42.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' ARG . 5.1 tp -46.03 -56.2 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -41.1 -29.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.5 mt-10 -93.76 -36.45 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' LEU . 73.1 mtt180 -56.74 -60.03 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.421 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 53.9 mmm -49.11 -67.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.478 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.3 p -39.41 -60.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.42 -45.42 46.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 29' ' ' LEU . 37.1 mt -57.45 -58.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.46 -29.92 0.27 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -56.17 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -51.55 -38.07 52.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 45.5 t-105 -69.08 -32.38 71.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -78.06 -2.32 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 10.6 mtp-105 -97.63 -51.56 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.9 pt -45.58 169.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.7 -179.19 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -51.47 -51.44 55.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -38.4 -68.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -43.93 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 42.1 mttp -38.55 -48.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.54 -52.11 66.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.409 ' NE2' HD13 ' A' ' 59' ' ' LEU . 69.8 t60 -54.64 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.483 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 14.2 m-85 -48.25 -53.85 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 9.5 ttpt -55.81 -31.08 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -73.6 -40.4 63.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.458 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 97.8 mt -69.47 -42.09 75.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.46 -34.18 23.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 1.4 mt-10 -73.02 -39.21 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -39.84 87.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -46.77 82.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -68.69 -31.43 70.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -67.37 -42.64 83.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.529 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 34.5 mt-30 -71.15 -45.16 64.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.5 t80 -51.95 -21.75 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -65.64 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 m -53.11 -41.09 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 20.6 m170 -43.84 -53.6 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.589 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.4 mt -48.39 -45.9 36.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -45.33 93.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 73' ' ' LEU . 4.8 mt -64.06 -40.06 95.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.572 ' CH2' HD12 ' A' ' 78' ' ' LEU . 9.2 t90 -68.13 -27.82 66.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.55 HG22 ' CE3' ' A' ' 74' ' ' TRP . 47.2 t -72.66 -49.29 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -51.73 -23.65 4.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.6 m -87.1 -28.53 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.572 HD12 ' CH2' ' A' ' 74' ' ' TRP . 16.2 mt -57.29 123.78 16.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -53.35 179.67 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.08 -16.18 20.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -94.42 -39.78 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.5 -55.09 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -43.26 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.78 -27.4 28.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -81.96 -55.25 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CE1' HG13 ' A' ' 90' ' ' ILE . 1.8 t80 -43.55 -43.69 5.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -60.78 -38.15 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 2.6 pt-20 -47.04 -38.0 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.559 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -80.34 -22.99 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' CE1' ' A' ' 86' ' ' TYR . 1.8 mm -78.8 -44.02 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 t -86.33 47.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 40.6 p30 177.27 44.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.559 ' HD2' ' CE1' ' A' ' 89' ' ' TYR . 17.3 tttm -147.29 -62.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.98 -58.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 75.84 60.47 0.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.51 174.05 8.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.74 -144.98 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.45 174.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.5 m 66.42 118.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.5 97.55 3.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.019 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.7 86.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.87 -120.64 1.77 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.05 -57.15 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -106.44 -68.96 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.71 -70.37 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.443 1.089 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.76 23.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 173.77 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.15 116.46 66.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -163.07 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.44 ' CG ' ' NE2' ' A' ' 17' ' ' GLN . 2.9 ptp -150.01 -45.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' TYR . 66.7 m-80 -90.84 133.42 35.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -37.89 -29.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.148 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' ASN . 29.1 t80 -70.33 -64.4 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' NE2' ' CG ' ' A' ' 13' ' ' MET . 21.1 mt-30 -41.15 -33.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -69.17 -60.17 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.655 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 13.8 t80 -54.28 -43.77 71.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 21' ' ' GLN . 7.1 p -54.39 -63.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' N ' ' OG ' ' A' ' 20' ' ' SER . 6.4 tm0? -43.49 -32.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.75 -43.01 97.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.655 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mt -71.16 -34.21 70.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.0 mt -72.03 -26.3 62.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 t -95.52 -22.83 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' GLU . 76.4 m-20 -74.29 -59.41 2.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.85 26.5 7.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.8 -23.19 55.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -126.32 38.84 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.6 p30 -91.07 15.35 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.491 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 45.1 p-80 -96.0 -24.58 16.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.491 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -110.6 171.02 4.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.91 34.38 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.75 -56.16 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . 16.2 tptt -36.12 -70.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.511 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.3 mt-10 -51.28 -51.83 50.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.43 -63.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.4 mmt -46.6 -69.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.511 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.7 p -46.55 -48.68 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -55.62 -37.67 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 29' ' ' LEU . 15.9 mt -66.48 -59.74 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.55 -38.22 0.98 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -55.81 15.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.029 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -55.22 -36.11 65.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.574 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 41.6 t-105 -71.72 -31.98 67.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -77.76 -16.39 58.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -81.35 -53.47 6.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.2 pt -44.56 167.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.3 -168.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 51' ' ' SER . 12.3 tp60 -62.76 -51.28 67.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 8.5 t -38.48 -67.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -45.8 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.574 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 11.3 mttp -38.85 -46.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.15 -55.38 35.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' LYS . 63.8 t60 -51.78 -63.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -43.17 -51.58 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -53.95 -35.67 62.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -72.57 -36.04 68.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 47.4 mt -69.45 -41.87 75.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.36 -65.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.496 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 11.5 pt-20 -42.1 -45.32 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.496 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 5.9 tt0 -62.23 -53.96 47.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -44.25 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 13' ' ' MET . 39.7 mt-30 -69.92 -41.69 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.62 -48.63 66.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -69.28 -45.83 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.477 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 35.1 t80 -51.87 -62.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -47.28 -33.16 5.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.9 t -76.72 -56.44 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' LEU . 17.9 m170 -43.2 -55.62 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.568 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.477 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 14.1 mt -41.75 -54.27 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.14 -43.12 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' HIS . 16.1 mt -63.61 -41.84 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.562 ' CZ3' HD12 ' A' ' 78' ' ' LEU . 11.6 t90 -65.56 -30.41 71.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.002 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.566 HG21 ' CE2' ' A' ' 86' ' ' TYR . 49.9 t -70.19 -38.23 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -64.61 -12.33 44.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.4 m -106.92 6.63 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.562 HD12 ' CZ3' ' A' ' 74' ' ' TRP . 22.8 mt -88.89 143.0 27.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -66.21 178.79 0.56 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -75.0 -17.09 19.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -91.36 -48.16 7.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -59.5 -60.96 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -47.1 38.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.47 -54.66 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -63.09 -67.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.566 ' CE2' HG21 ' A' ' 75' ' ' VAL . 87.0 t80 -36.02 -50.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -55.47 -49.73 71.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.4 pt-20 -39.21 -38.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -83.46 -40.63 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.527 HD13 ' CE2' ' A' ' 86' ' ' TYR . 10.0 mm -51.0 -65.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 t -41.64 -42.24 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 54.4 m-20 -93.04 55.6 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.9 -60.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -88.21 162.28 16.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -97.42 -62.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.6 m -156.03 169.79 23.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.65 -84.11 0.08 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.11 10.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.0 m -111.69 85.75 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.9 t -142.0 146.1 35.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.81 128.47 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 41.9 89.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.74 150.69 22.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p -149.37 110.39 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.71 92.95 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.52 -97.39 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.09 28.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -115.05 162.37 17.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 113.85 23.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HG3' ' CB ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 173.23 14.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.96 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 mmm -134.55 -70.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -82.49 167.61 18.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -62.52 -30.67 77.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -64.44 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -41.72 -30.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -71.99 -64.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 2.8 t80 -50.67 -46.83 58.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -53.0 -52.59 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.31 -32.66 11.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -63.32 -42.28 98.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.62 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.0 mt -72.23 -30.94 65.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.61 -26.9 61.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.4 t -95.54 -21.7 18.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 77.1 m-20 -75.77 -61.08 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.22 23.79 8.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.45 -21.59 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.54 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -125.61 35.69 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.22 2.02 45.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 44.5 p-80 -81.41 -22.57 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 HD12 ' CB ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -113.71 166.5 11.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.4 Cg_endo -75.04 157.56 42.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 1.3 tm? -38.78 -56.34 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -35.96 -70.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -50.2 -51.27 45.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 2.5 mtm180 -40.25 -67.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.3 mmt -39.8 -32.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 35' ' ' LYS . 1.7 t -77.16 -61.06 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -48.04 -36.58 13.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.48 HG13 ' CD1' ' A' ' 29' ' ' LEU . 40.9 mt -66.45 -58.88 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.13 -44.64 7.63 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -52.58 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -58.1 -42.2 85.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 43.2 t-105 -66.52 -31.89 72.9 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.19 -9.03 59.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -87.92 -56.48 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 52' ' ' GLN . 22.9 pt -44.65 167.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -170.34 1.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' SER . 15.0 tp60 -59.56 -53.55 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' GLN . 14.7 t -36.71 -59.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -50.58 -71.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 21.0 mttt -39.13 -45.19 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.22 -59.52 5.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.416 ' NE2' HD13 ' A' ' 59' ' ' LEU . 70.1 t60 -44.85 -64.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 16.9 m-85 -48.69 -50.2 34.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 13.5 ttpp -57.19 -29.64 63.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -76.31 -38.88 55.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.467 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 82.9 mt -70.6 -44.66 66.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.16 -35.11 6.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -72.13 -34.46 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -69.47 -37.49 77.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -51.3 70.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.453 ' O ' ' CG ' ' A' ' 68' ' ' LYS . 30.7 mt-30 -65.13 -25.47 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.347 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -73.63 -44.28 57.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.603 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 32.3 mt-30 -68.59 -47.24 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.443 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . 4.9 t80 -56.97 -24.29 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 64' ' ' GLN . 29.7 mmtt -71.37 -63.01 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -57.57 -44.23 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 20.8 m170 -41.82 -55.4 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.606 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.1 mt -46.24 -49.65 16.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -43.29 78.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.412 ' N ' HD21 ' A' ' 73' ' ' LEU . 4.3 mt -65.62 -38.9 90.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.577 ' CH2' HD11 ' A' ' 78' ' ' LEU . 7.0 t90 -66.19 -29.16 69.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.554 HG21 ' CE2' ' A' ' 86' ' ' TYR . 47.7 t -71.44 -39.11 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -63.67 -14.15 49.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -103.56 10.1 37.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.577 HD11 ' CH2' ' A' ' 74' ' ' TRP . 34.2 mt -95.22 139.92 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.557 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -63.56 -179.02 0.25 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 -15.9 20.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -93.98 -51.03 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.78 -55.16 37.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.48 -41.28 72.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.31 -54.68 19.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -59.39 -66.32 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.57 ' CE2' HD11 ' A' ' 90' ' ' ILE . 87.5 t80 -37.63 -51.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -45.81 71.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 pt-20 -43.8 -39.03 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.453 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 22.0 t80 -81.47 -40.91 22.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.57 HD11 ' CE2' ' A' ' 86' ' ' TYR . 19.8 mm -49.46 -66.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.7 t -42.58 -42.35 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 80.2 m-20 -90.66 59.33 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' HD3' ' CE2' ' A' ' 89' ' ' TYR . 7.2 tttp -164.48 -60.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.4 169.35 18.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -86.11 138.17 32.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.5 p -120.39 159.21 25.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -109.0 147.96 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.434 1.084 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.49 2.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.84 156.96 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.8 t -152.59 104.67 2.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 p -159.66 143.45 14.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.34 158.02 35.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.054 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.07 152.88 5.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 75.37 -69.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.02 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -146.68 126.7 13.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.77 -75.13 1.29 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 154.33 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 115.29 33.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.48 ' CG ' ' HA ' ' A' ' 64' ' ' GLN . 18.3 Cg_endo -74.96 173.27 14.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.446 1.761 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -170.95 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.48 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -159.58 146.2 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 5.0 m-20 81.52 -65.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.448 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . 150.41 -34.93 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.515 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 10.2 t80 -60.74 -44.46 96.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -66.0 -26.06 67.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -67.26 -56.77 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 11.8 t80 -60.0 -40.61 89.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' LEU . 29.2 m -55.14 -59.32 4.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -42.67 -35.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -62.54 -43.45 98.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 19' ' ' PHE . 4.0 mt -69.57 -26.45 64.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.28 -28.15 47.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -95.52 -20.62 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 81.8 m-20 -76.85 -60.52 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.2 28.28 6.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.83 -17.55 59.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 0.803 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -128.73 40.49 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.37 2.41 56.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 35.3 p-80 -83.7 -24.46 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.649 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -108.16 172.29 3.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.2 Cg_endo -74.97 153.39 41.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -43.03 -56.16 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . 22.9 tptt -40.01 -39.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 4.2 mt-10 -77.82 -47.54 18.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -39.52 -63.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.231 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.6 mmt -46.88 -69.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.6 p -46.17 -49.15 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -52.94 -40.3 63.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.478 HG13 ' CD1' ' A' ' 29' ' ' LEU . 13.0 mt -63.81 -60.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.49 -31.42 0.07 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.52 -54.05 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ILE . 3.4 mtp85 -55.86 -40.41 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.519 ' CH2' ' HA ' ' A' ' 53' ' ' LYS . 41.5 t-105 -62.29 -31.54 72.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 107.988 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -80.97 -7.33 59.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.4 mtp85 -93.4 -43.68 8.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.455 HD12 ' CE3' ' A' ' 45' ' ' TRP . 19.0 pt -50.53 -179.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m -118.32 179.68 4.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -52.52 -53.48 45.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.0 t -38.98 -46.27 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -66.96 -62.91 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.519 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 89.6 mttt -46.63 -45.03 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.6 -60.72 2.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CD2' HD13 ' A' ' 59' ' ' LEU . 77.4 t60 -49.16 -63.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -49.75 -42.34 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' ASN . 2.2 ttpp -61.09 -45.79 93.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.36 -52.04 66.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 55' ' ' HIS . 51.9 mt -49.11 -53.33 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' A' ' 64' ' ' GLN . . . -43.51 -40.86 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 61' ' ' GLU . 2.2 mm-40 -63.16 -42.01 99.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -71.65 -42.84 67.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -44.55 81.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.48 ' HA ' ' CG ' ' A' ' 11' ' ' PRO . 25.0 mt-30 -69.66 -41.14 75.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -45.96 52.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.0 -52.92 63.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.263 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.453 ' C ' ' N ' ' A' ' 69' ' ' VAL . 68.2 t80 -52.71 -60.33 3.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' TYR . 29.5 mmmt -40.28 -29.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.453 ' N ' ' C ' ' A' ' 67' ' ' TYR . 57.3 t -88.91 -65.03 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -39.89 -40.45 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.575 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.31 -52.54 65.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -59.79 -42.12 92.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.9 mt -59.43 -38.5 80.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.56 ' CZ3' HD13 ' A' ' 78' ' ' LEU . 13.3 t90 -62.83 -27.49 69.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.58 HG23 ' CE2' ' A' ' 86' ' ' TYR . 94.2 t -81.03 -31.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -71.12 -4.59 26.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.9 t -114.61 -9.04 12.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.56 HD13 ' CZ3' ' A' ' 74' ' ' TRP . 14.0 mt -74.01 128.97 36.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' ' 83' ' ' ARG . 0.3 OUTLIER -47.53 175.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 -9.23 20.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.544 1.813 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -94.06 -56.89 2.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.82 -59.3 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.504 ' CZ ' ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -48.54 -50.94 30.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.28 -42.31 6.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -71.45 -64.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 75' ' ' VAL . 50.6 t80 -37.71 -48.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.3 OUTLIER -55.43 -48.31 74.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.1 pt-20 -38.69 -39.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.453 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 8.2 t80 -82.0 -38.4 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.565 HG13 ' CE2' ' A' ' 86' ' ' TYR . 7.1 mm -55.17 -62.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t -45.67 -58.77 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -40.87 -53.78 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' HD3' ' CE1' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -83.58 -170.05 2.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 93' ' ' LYS . 3.2 mmp_? 47.11 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 mttt 61.06 149.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.9 m -176.01 96.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -155.66 174.27 33.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.462 1.769 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.66 144.02 33.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.9 p -120.03 161.21 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.432 1.082 . . . . 0.0 110.999 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.55 165.99 34.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 t -176.85 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.96 -175.25 30.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.1 p 176.79 -56.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -165.55 172.32 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.91 124.59 2.38 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.28 41.64 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 117.7 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 115.63 1.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HB3' ' NE2' ' A' ' 63' ' ' GLN . 18.2 Cg_endo -75.02 172.57 16.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.08 -166.06 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 mmm -126.5 -72.42 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -86.99 177.31 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.97 -33.34 74.53 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.462 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 22.8 t80 -62.24 -66.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -43.87 -29.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 7.2 tptt -70.11 -60.74 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.657 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 15.5 t80 -54.84 -45.74 74.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.4 m -52.07 -58.41 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -45.43 -34.64 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.44 -43.15 98.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.657 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 3.9 mt -69.59 -28.44 65.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.59 -28.01 56.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.19 -21.52 18.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' GLU . 80.1 m-20 -76.35 -62.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.94 27.24 7.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -20.23 61.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 0.776 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.507 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -127.63 38.91 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -84.48 1.6 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 45.4 p-80 -79.43 -26.63 41.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.558 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.561 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -111.17 169.66 6.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 162.45 36.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.12 -55.81 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -36.1 -68.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.507 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -52.37 -52.32 54.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -38.73 -63.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.9 mmt -46.24 -68.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 36' ' ' GLU . 3.9 p -47.46 -47.73 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.72 -41.52 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.6 mt -59.7 -55.44 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.05 -38.42 2.56 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -52.66 54.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 15.8 mtp85 -56.84 -40.63 76.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CH2' ' HD2' ' A' ' 53' ' ' LYS . 35.3 t-105 -69.58 -32.36 71.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.03 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.44 -13.58 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' ILE . 1.0 OUTLIER -84.24 -58.03 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.463 HD13 ' CD ' ' A' ' 53' ' ' LYS . 20.7 pt -43.06 164.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.36 -170.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 51' ' ' SER . 34.6 tp60 -58.28 -56.5 21.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.1 t -33.16 -52.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.446 ' CG ' HD11 ' A' ' 48' ' ' ILE . 1.4 tp-100 -54.59 -57.67 10.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.561 ' HD2' ' CH2' ' A' ' 45' ' ' TRP . 6.8 mmtm -50.3 -43.38 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.77 -55.38 20.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.564 ' CD2' HD13 ' A' ' 59' ' ' LEU . 67.1 t60 -48.16 -67.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.505 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 11.8 m-85 -51.84 -59.17 4.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 53' ' ' LYS . 12.5 ttpt -46.45 -40.19 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.26 -57.75 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 55' ' ' HIS . 12.3 mt -45.83 -48.35 15.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.41 -45.89 18.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.62 -32.36 70.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -75.72 -43.46 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -56.56 -43.25 79.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -74.13 -16.33 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -81.46 -37.13 28.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.423 ' HB3' ' NE2' ' A' ' 70' ' ' HIS . 27.7 mt-30 -76.97 -45.11 28.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.511 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 9.1 t80 -52.51 -19.96 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -71.8 -54.23 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 70' ' ' HIS . 1.3 m -66.72 -46.75 84.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.443 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 28.7 m170 -40.01 -54.53 2.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.511 HD13 ' CZ ' ' A' ' 67' ' ' TYR . 20.6 mt -48.55 -49.64 35.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -44.98 86.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 73' ' ' LEU . 6.2 mt -64.33 -36.34 83.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.553 ' CH2' HD13 ' A' ' 78' ' ' LEU . 12.1 t90 -69.91 -28.19 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 107.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.582 HG23 ' CE2' ' A' ' 86' ' ' TYR . 40.5 t -72.34 -50.01 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -49.07 -25.04 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -87.51 -36.6 17.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD13 ' CH2' ' A' ' 74' ' ' TRP . 19.7 mt -44.41 126.42 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -54.43 178.31 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.99 -15.61 20.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.562 1.822 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -93.3 -39.53 10.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -70.61 -54.76 10.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -40.17 69.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.03 -28.66 58.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -87.47 -61.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.582 ' CE2' HG23 ' A' ' 75' ' ' VAL . 44.4 t80 -37.86 -46.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -56.51 -48.57 76.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.3 pt-20 -39.6 -38.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.452 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 5.1 t80 -82.55 -38.0 24.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.581 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 4.9 mm -56.81 -59.35 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.2 t -42.73 -62.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -42.25 -54.42 3.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HD3' ' CE1' ' A' ' 89' ' ' TYR . 0.6 OUTLIER -86.56 -167.84 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.97 171.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -149.96 91.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -113.15 173.93 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -164.74 154.26 24.98 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 163.14 35.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.3 p 178.59 144.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.944 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.4 p -87.0 115.63 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.03 135.21 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -50.5 105.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.46 -76.55 0.94 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.37 -60.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -109.19 174.26 5.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.73 108.94 2.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.7 24.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' LYS . 11.3 mttt -99.19 113.7 26.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -40.07 105.28 0.36 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.46 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.21 18.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.4 ptm -138.69 35.89 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -173.85 138.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -42.86 -48.45 6.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.566 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 19.3 t80 -57.06 -62.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -48.75 -29.27 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 60' ' ' ALA . 6.0 tptt -73.25 -65.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.562 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 16.5 t80 -46.58 -45.73 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 23' ' ' LEU . 66.9 m -52.29 -59.32 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -43.58 -33.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -63.48 -42.87 98.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.562 HD13 ' CZ ' ' A' ' 19' ' ' PHE . 3.9 mt -70.17 -26.85 64.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.7 mt -79.29 -27.42 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -95.49 -21.07 18.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' GLU . 78.2 m-20 -75.96 -58.95 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.92 26.8 7.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -20.42 58.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -126.04 39.15 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -93.88 19.91 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -105.44 -19.9 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.48 170.35 5.73 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.81 38.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -48.3 -58.85 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 34' ' ' LEU . 17.0 tttt -38.62 -31.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.529 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.5 mt-10 -89.5 -44.62 10.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' LEU . 57.3 mtt180 -47.27 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 41' ' ' ILE . 7.1 mmt -45.18 -69.19 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.529 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.7 p -41.81 -54.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 9.4 tp10 -50.7 -40.77 54.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 29' ' ' LEU . 30.5 mt -64.16 -60.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.86 -30.69 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.54 -51.92 15.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.006 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' ILE . 10.8 mtp180 -57.55 -40.5 79.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.566 ' CZ3' ' HA ' ' A' ' 16' ' ' TYR . 45.0 t-105 -61.96 -30.55 71.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 107.985 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -77.47 -16.94 58.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' ILE . 43.9 mtp180 -80.03 -52.45 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.464 ' HB ' ' CB ' ' A' ' 52' ' ' GLN . 19.1 pt -44.34 167.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.7 m -111.13 173.21 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 51' ' ' SER . 23.4 tp60 -44.7 -59.08 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' GLN . 9.2 t -38.39 -39.96 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' CB ' ' HB ' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -72.26 -72.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.557 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 30.5 mttt -39.47 -38.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.43 -54.97 18.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.589 ' CD2' HD21 ' A' ' 59' ' ' LEU . 50.3 t60 -50.0 -68.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.463 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 11.4 m-85 -44.32 -43.54 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 32.5 ttpt -54.46 -29.56 50.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -81.73 -44.19 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.589 HD21 ' CD2' ' A' ' 55' ' ' HIS . 2.4 mm? -49.18 -60.98 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -37.72 -45.4 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.05 -50.67 68.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -52.56 -58.81 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -47.21 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -66.99 -35.59 80.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -61.67 -39.45 91.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -75.12 -45.22 42.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.507 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.1 t80 -55.43 -19.0 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -69.89 -54.44 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 70' ' ' HIS . 1.2 m -66.66 -43.42 90.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.4 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 28.5 m170 -46.11 -52.54 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tp -48.34 -39.5 22.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -37.68 65.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 73' ' ' LEU . 8.0 mt -64.28 -35.94 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.572 ' CZ3' HD12 ' A' ' 78' ' ' LEU . 14.9 t90 -69.01 -29.14 67.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.529 HG21 ' CE3' ' A' ' 74' ' ' TRP . 35.4 t -72.3 -48.61 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -51.55 -23.22 3.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -88.1 -32.45 18.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.928 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.572 HD12 ' CZ3' ' A' ' 74' ' ' TRP . 34.0 mt -49.57 135.42 18.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -65.05 179.37 0.41 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.01 -13.55 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -94.04 -42.69 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.54 -57.76 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -35.58 30.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.93 -31.97 65.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -81.79 -61.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.567 ' CE1' HD11 ' A' ' 90' ' ' ILE . 4.1 t80 -39.74 -48.36 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -44.01 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 1.6 pt-20 -46.74 -36.14 6.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.496 ' CZ ' ' HG3' ' A' ' 93' ' ' LYS . 6.0 t80 -79.46 -34.53 41.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 86' ' ' TYR . 4.4 mm -54.95 -58.41 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ILE . 4.1 t -38.85 -46.84 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 11.6 p30 -96.76 61.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -174.31 -63.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.56 166.29 16.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 142.49 30.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m -153.67 131.76 11.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 139.63 179.7 17.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 106.48 2.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.89 -59.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.1 t -105.71 160.23 15.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -162.54 -60.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -87.66 141.42 28.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.14 119.8 4.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.6 -60.19 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.8 m -144.96 171.97 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.58 -83.61 1.51 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 162.11 37.7 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.69 136.06 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 105.57 0.49 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.98 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.0 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.564 1.823 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.7 mmm -134.65 -65.34 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -92.04 173.47 7.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.53 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -66.62 -34.2 86.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.551 1.157 . . . . 0.0 111.069 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.572 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 22.4 t80 -60.23 -62.12 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -47.74 -30.27 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -69.93 -62.0 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.654 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 28.6 t80 -50.74 -43.93 58.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' LEU . 74.9 m -54.42 -61.57 2.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.89 -32.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -67.23 -43.97 80.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.654 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.1 mt -71.54 -29.15 64.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.1 mt -75.75 -27.61 58.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -95.38 -20.74 18.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 76.1 m-20 -76.37 -60.36 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.32 29.35 6.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.89 -30.82 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -113.58 40.08 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.01 1.06 56.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 35.0 p-80 -82.13 -24.94 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -110.14 170.77 4.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.79 30.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -53.01 -56.1 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -41.71 -28.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.8 mt-10 -90.1 -50.81 5.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -38.96 -64.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.5 mmt -46.28 -69.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.2 p -45.2 -49.18 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 2.7 tp10 -53.24 -43.34 67.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.364 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.474 HG13 ' CD1' ' A' ' 29' ' ' LEU . 15.7 mt -58.86 -59.95 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.77 -32.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -72.8 -53.8 10.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 110.032 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 41' ' ' ILE . 25.2 mtp180 -59.32 -30.72 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CZ3' ' HA ' ' A' ' 16' ' ' TYR . 46.0 t-105 -70.45 -33.06 70.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -82.06 -1.98 50.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' ILE . 38.2 mtp180 -90.75 -53.54 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 52' ' ' GLN . 20.5 pt -47.94 174.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.0 m -106.69 -174.32 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' SER . 17.2 tp60 -54.86 -51.75 64.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLN . 10.6 t -36.57 -65.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' HG3' ' CE2' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -46.14 -71.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.559 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 14.1 mttt -39.57 -44.87 1.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.48 -63.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.589 ' CD2' HD22 ' A' ' 59' ' ' LEU . 11.1 t60 -43.95 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.629 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 9.6 m-85 -47.24 -40.07 15.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -63.54 -25.16 68.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.533 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -84.75 -47.61 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.589 HD22 ' CD2' ' A' ' 55' ' ' HIS . 2.9 mm? -51.81 -53.01 44.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.66 -41.41 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.71 -42.63 95.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -65.91 -42.74 89.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -46.9 79.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -70.93 -23.16 62.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -73.03 -39.72 65.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -74.4 -45.55 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.557 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.1 t80 -53.39 -20.82 4.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 111.02 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -57.07 5.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.98 -40.84 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -48.26 -42.78 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.63 -40.03 82.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -39.05 70.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 73' ' ' LEU . 7.6 mt -60.86 -35.38 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.566 ' CH2' HD11 ' A' ' 78' ' ' LEU . 14.5 t90 -71.7 -28.15 63.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 108.031 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.563 HG22 ' CE3' ' A' ' 74' ' ' TRP . 30.4 t -74.7 -42.76 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -56.57 -18.97 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.6 m -95.95 -23.63 16.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.566 HD11 ' CH2' ' A' ' 74' ' ' TRP . 15.5 mt -57.51 125.67 23.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -54.76 178.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -14.89 20.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -94.09 -37.93 11.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.89 -54.71 9.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -38.74 66.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.85 -29.17 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -84.88 -60.9 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.513 ' CZ ' HD12 ' A' ' 90' ' ' ILE . 4.5 t80 -38.43 -45.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -60.37 -47.67 85.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.7 pt-20 -39.75 -39.89 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 12.8 t80 -77.23 -39.29 49.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.513 HD12 ' CZ ' ' A' ' 86' ' ' TYR . 16.5 mm -51.14 -66.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.32 -59.45 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -45.36 -48.96 13.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -55.2 36.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -42.8 -47.73 5.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -166.51 -74.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.8 p -149.3 158.1 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.959 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.82 88.78 0.09 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 170.81 19.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.36 112.85 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.6 t 44.53 81.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -125.65 -64.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m 61.97 93.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.35 -90.02 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.06 89.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 p 178.9 147.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.952 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.79 -119.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 150.95 38.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -119.8 136.45 54.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 100.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 173.45 14.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.462 ' CG ' ' HB2' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.0 151.92 40.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.2 ptm -143.22 64.58 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 171.3 -53.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.06 -41.56 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 12.2 t80 -68.39 -40.27 81.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -67.39 -25.09 65.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -67.86 -61.09 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.648 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 16.9 t80 -54.9 -39.45 68.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 m -58.26 -56.13 26.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -48.8 -32.28 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -65.93 -41.32 91.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.648 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.7 mt -72.1 -26.12 62.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.4 mt -78.39 -27.23 46.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.4 -20.91 18.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.957 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 80.3 m-20 -76.28 -60.82 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.29 28.01 7.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.65 -23.52 58.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -124.1 39.19 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -86.34 1.77 49.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 39.6 p-80 -80.37 -23.14 40.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -114.49 169.36 6.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.04 30.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -45.69 -56.09 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -35.89 -68.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.505 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -52.52 -53.31 47.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' GLU . 1.1 mtm180 -37.8 -62.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.4 mmt -46.91 -68.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 36' ' ' GLU . 3.7 p -47.4 -47.83 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.79 -40.71 73.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.68 -57.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -41.41 -39.93 2.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -51.15 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 0.757 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 14.1 mtp180 -59.01 -45.8 89.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.578 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 35.8 t-105 -59.11 -29.23 67.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.033 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -77.19 -12.95 60.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 44' ' ' ARG . 0.4 OUTLIER -88.62 -52.08 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.474 ' HB ' ' CB ' ' A' ' 52' ' ' GLN . 15.0 pt -40.76 160.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.89 164.77 12.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -41.29 -55.04 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 t -39.19 -44.73 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' CB ' ' HB ' ' A' ' 48' ' ' ILE . 0.6 OUTLIER -61.32 -72.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.578 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 33.1 mttp -42.86 -38.92 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.12 -57.51 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.563 ' CD2' HD21 ' A' ' 59' ' ' LEU . 10.7 t60 -52.76 -66.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.586 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 10.3 m-85 -45.62 -33.13 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -69.98 -31.6 69.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.541 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -77.41 -44.11 30.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 55' ' ' HIS . 2.7 mm? -51.99 -49.43 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.33 -41.85 9.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.05 -39.02 93.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.35 -42.47 54.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -60.39 -48.1 83.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -69.16 -19.91 64.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -75.85 -45.64 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.416 ' HB3' ' NE2' ' A' ' 70' ' ' HIS . 70.9 mt-30 -70.82 -45.55 64.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.518 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.4 t80 -52.23 -22.86 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -68.77 -58.89 3.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 m -63.22 -40.77 90.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 66' ' ' GLN . 21.2 m170 -46.34 -51.33 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.621 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 tp -50.06 -41.66 48.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.99 -38.9 79.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.454 HD23 ' CE ' ' A' ' 76' ' ' LYS . 8.1 mt -62.18 -40.8 97.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.567 ' CZ3' HD13 ' A' ' 78' ' ' LEU . 20.6 t90 -67.35 -25.26 65.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.517 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 34.3 t -78.41 -40.87 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' CE ' HD23 ' A' ' 73' ' ' LEU . 5.1 mtmt -56.9 -20.17 21.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -94.91 -29.48 14.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD13 ' CZ3' ' A' ' 74' ' ' TRP . 14.2 mt -49.32 124.72 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -53.91 178.57 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -74.99 -15.85 20.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -93.14 -39.35 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -69.7 -56.4 7.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -40.3 62.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.97 -25.58 30.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -90.83 -60.67 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CE1' HG13 ' A' ' 90' ' ' ILE . 3.0 t80 -39.59 -45.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -58.47 -46.18 87.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.6 pt-20 -41.34 -38.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 7.9 t80 -80.05 -35.86 36.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.568 HG13 ' CE1' ' A' ' 86' ' ' TYR . 6.2 mm -52.41 -64.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.6 t -42.67 -55.33 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -52.55 -50.27 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -84.27 -169.66 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 39.1 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.92 112.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 m -52.53 160.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -145.19 -174.25 17.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 179.09 6.41 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.29 167.17 31.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 m -100.15 170.29 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 t -88.33 86.56 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.01 112.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.55 161.43 21.29 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -169.33 -59.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.972 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -76.14 151.56 36.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.37 -80.55 1.47 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.28 35.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.62 123.95 51.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 109.87 0.64 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.94 170.06 21.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.12 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -151.14 154.79 37.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 61.24 -81.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . . . 168.96 -30.5 0.16 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.408 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 20.5 t80 -67.52 -38.71 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 13' ' ' MET . 20.3 mt-30 -65.43 -29.54 70.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HG3' ' CD1' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -65.49 -63.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.652 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 23.5 t80 -53.58 -43.7 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' LEU . 56.5 m -54.86 -62.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -42.67 -33.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -65.76 -44.6 85.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.652 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mt -69.6 -27.08 64.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 mt -78.68 -27.51 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 t -95.36 -20.28 19.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' GLU . 82.0 m-20 -77.73 -62.23 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.03 27.28 6.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.64 -16.83 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.55 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -127.68 39.37 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.58 -1.12 57.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.55 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 38.6 p-80 -78.82 -24.56 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -110.26 170.54 5.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.2 Cg_endo -75.05 151.28 39.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.769 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -40.8 -56.28 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.5 tptt -38.89 -41.45 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.52 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.2 mt-10 -76.89 -48.85 17.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -38.18 -62.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.7 mmt -46.96 -69.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.52 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.4 p -46.75 -48.16 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -54.26 -43.49 71.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.462 HG13 ' CD1' ' A' ' 29' ' ' LEU . 16.7 mt -58.07 -59.44 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.23 -32.92 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -72.27 -52.99 13.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' ILE . 18.8 mtp180 -60.54 -30.95 70.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.566 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 43.8 t-105 -70.02 -33.06 71.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.05 -1.75 55.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -89.78 -51.0 5.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 52' ' ' GLN . 21.7 pt -50.74 179.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.2 m -113.1 -174.9 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' SER . 22.5 tp60 -55.24 -50.24 69.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.7 t -37.19 -58.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.568 ' HG3' ' CE2' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -53.28 -72.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.566 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 18.0 mttp -39.83 -41.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -60.56 -54.89 39.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.557 ' CE1' ' HE2' ' A' ' 58' ' ' LYS . 48.3 t60 -59.38 -66.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 7.8 m-85 -43.3 -25.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' O ' ' OE2' ' A' ' 61' ' ' GLU . 18.3 ttpt -88.55 -47.65 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.61 -29.81 70.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 55' ' ' HIS . 47.9 mt -73.54 -44.96 56.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.69 -37.52 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 61' ' ' GLU . 5.5 mm-40 -66.68 -35.05 79.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.43 1.081 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -71.65 -39.56 70.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -45.99 87.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -72.43 -16.3 61.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -81.38 -38.02 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -78.86 -43.82 24.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.535 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -54.5 -19.88 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -70.31 -53.93 14.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -67.71 -41.37 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -48.16 -45.29 33.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.596 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.16 -40.03 73.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -40.4 67.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 73' ' ' LEU . 7.0 mt -59.3 -37.53 77.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.575 ' CE3' HG23 ' A' ' 75' ' ' VAL . 19.4 t90 -67.74 -31.78 71.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.575 HG23 ' CE3' ' A' ' 74' ' ' TRP . 49.8 t -72.7 -45.53 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -55.16 -19.58 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.79 -24.46 16.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD11 ' CH2' ' A' ' 74' ' ' TRP . 14.1 mt -56.8 126.22 25.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -52.05 179.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -74.98 -17.56 19.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.449 1.763 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -92.01 -50.93 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -56.22 -56.18 24.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.366 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.409 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.11 -40.77 67.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.43 -27.47 16.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.44 -48.29 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.569 ' CE1' HG13 ' A' ' 90' ' ' ILE . 20.6 t80 -53.92 -59.41 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -40.06 75.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.28 -33.25 41.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -87.8 -28.31 21.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.6 mm -63.56 -65.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 t -42.14 -38.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -94.48 59.62 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -159.62 -59.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -78.05 -53.07 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.3 tttm 62.44 94.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.09 173.45 11.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -112.8 97.36 0.88 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.69 6.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m 69.4 115.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 63.1 p -179.34 102.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -166.22 -59.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -169.73 164.9 10.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.89 147.34 8.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t 61.85 110.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 0.769 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 p 171.1 122.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.033 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.37 -93.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 147.26 33.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -117.69 133.55 55.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.65 107.35 0.77 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -177.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -155.28 139.32 16.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 13' ' ' MET . 4.6 m-20 82.58 -62.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.56 -33.54 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.412 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 17.5 t80 -66.25 -39.49 89.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 13' ' ' MET . 29.5 mt-30 -67.07 -25.0 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -60.63 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.655 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 19.6 t80 -58.42 -41.67 85.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LEU . 23.0 m -54.64 -62.68 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -43.32 -35.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -62.58 -43.91 97.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.655 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.98 -22.97 63.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -81.03 -28.75 35.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.23 -19.9 19.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 85.3 m-20 -77.56 -61.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.62 26.64 7.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.46 -18.94 61.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.545 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -126.79 37.05 4.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -87.31 -1.68 58.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 40.2 p-80 -77.05 -25.15 52.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.616 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -110.21 170.42 5.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 18.4 Cg_endo -74.97 156.95 43.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -44.29 -56.37 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 39' ' ' VAL . 9.5 tptt -40.14 -34.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.4 mm-40 -83.83 -49.95 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' GLU . 4.3 mtt180 -38.07 -63.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.7 mmt -46.29 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.513 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.4 p -46.01 -48.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -54.56 -41.26 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.48 HG13 ' CD1' ' A' ' 29' ' ' LEU . 18.8 mt -61.53 -60.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.7 -32.08 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.16 -54.25 8.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.036 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ILE . 24.6 mtp180 -57.29 -36.43 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 44.4 t-105 -66.35 -33.12 75.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -84.15 -5.4 59.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -87.66 -51.42 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 52' ' ' GLN . 16.3 pt -48.73 175.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.48 -171.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 51' ' ' SER . 21.9 tp60 -59.73 -51.81 68.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' GLN . 28.4 t -37.06 -57.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.547 ' HG3' ' CE2' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -53.09 -72.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 110.346 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 47.1 mttt -40.23 -39.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.19 -61.23 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.576 ' CE1' HD22 ' A' ' 59' ' ' LEU . 25.4 t60 -50.87 -68.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 8.1 m-85 -41.59 -27.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' HIS . 3.6 ttpp -83.85 -45.25 13.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.476 ' C ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -63.52 -40.99 98.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.576 HD22 ' CE1' ' A' ' 55' ' ' HIS . 77.9 mt -59.93 -46.63 88.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.83 -43.41 48.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 61' ' ' GLU . 2.1 mm-40 -61.61 -36.81 81.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -44.65 63.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -40.0 77.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -78.44 -14.98 59.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -81.37 -37.12 28.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -78.84 -42.67 26.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.3 t80 -53.74 -22.08 8.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -69.17 -52.13 31.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.95 -40.97 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -48.6 -38.89 22.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.6 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 tp -63.88 -38.92 92.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -47.95 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 73' ' ' LEU . 8.1 mt -54.45 -34.7 61.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.575 ' CZ3' HD12 ' A' ' 78' ' ' LEU . 19.2 t90 -69.42 -34.92 75.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 107.985 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.572 HG23 ' CE3' ' A' ' 74' ' ' TRP . 42.1 t -68.97 -35.23 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -67.04 -15.22 63.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -101.8 7.63 41.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.575 HD12 ' CZ3' ' A' ' 74' ' ' TRP . 25.4 mt -91.88 147.62 22.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.544 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -73.12 -179.82 0.96 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -15.36 20.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -93.63 -52.52 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -55.47 -56.57 18.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -45.86 71.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.32 -51.04 8.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -65.61 -61.92 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.57 ' CE2' HG22 ' A' ' 75' ' ' VAL . 88.4 t80 -42.36 -50.43 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -36.84 69.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -52.57 -35.83 54.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -84.02 -38.81 20.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.558 HD12 ' CE2' ' A' ' 86' ' ' TYR . 7.7 mm -51.29 -64.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 92' ' ' ASN . 48.2 t -49.1 -56.36 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 91' ' ' SER . 1.3 m-80 -40.02 -55.58 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -57.98 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -57.14 165.87 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -109.9 -64.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -154.58 169.23 24.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 137.2 84.74 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -116.76 170.33 8.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.0 -58.43 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.041 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -142.67 69.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -127.9 167.27 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.967 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.13 145.64 9.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -160.25 107.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m 173.19 158.09 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.78 -86.48 0.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 18.4 Cg_endo -75.05 138.98 23.61 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' CE2' ' A' ' 67' ' ' TYR . 6.7 mttt -53.92 -176.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -133.96 78.82 58.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.8 13.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.3 mmm -127.8 -59.19 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -98.06 -177.54 3.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.04 -34.7 61.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.517 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 17.4 t80 -61.1 -64.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -46.97 -30.16 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 1.9 tptp -68.78 -60.84 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.634 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 10.6 t80 -54.86 -44.43 73.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' LEU . 38.8 m -55.39 -56.92 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -44.53 -34.54 2.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -64.34 -43.77 93.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.634 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.3 -24.78 63.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.2 mt -80.6 -27.55 37.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.58 -20.66 18.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 85.0 m-20 -77.56 -62.43 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.56 26.58 7.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.2 -17.62 61.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.561 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -128.23 37.22 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.99 0.45 48.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 43.4 p-80 -78.97 -21.49 47.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.44 HD12 ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -116.02 169.51 6.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 161.77 38.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.24 -56.09 3.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 34' ' ' LEU . 13.7 tptt -36.08 -66.09 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.503 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -54.39 -53.32 55.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -37.95 -62.07 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.7 mmt -47.35 -68.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 36' ' ' GLU . 3.7 p -47.54 -47.5 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.89 -37.81 69.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.7 mt -66.11 -55.51 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.36 -32.84 1.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -53.97 11.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -54.86 -43.7 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.558 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 37.0 t-105 -63.14 -27.5 69.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -81.97 -7.01 59.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' ILE . 13.6 mtp-105 -93.29 -46.31 7.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.461 HD11 ' CE3' ' A' ' 45' ' ' TRP . 26.3 pt -49.04 177.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.97 -174.82 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . 34.2 tp60 -55.92 -53.86 51.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -38.74 -46.3 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -66.08 -59.62 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 13.6 mttt -49.54 -44.18 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -60.38 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.557 ' CD2' HD13 ' A' ' 59' ' ' LEU . 76.9 t60 -48.53 -65.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -46.85 -53.8 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -51.99 -43.74 63.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -61.56 -55.1 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 55' ' ' HIS . 51.4 mt -44.14 -53.37 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.02 -48.6 6.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -55.81 -40.07 72.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' LEU . 8.3 tp10 -69.73 -36.04 75.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.432 ' OE1' ' NZ ' ' A' ' 18' ' ' LYS . 2.0 mt-30 -62.15 -50.16 72.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -68.23 -31.5 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.46 -44.17 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' O ' HG23 ' A' ' 69' ' ' VAL . 36.9 mt-30 -73.78 -44.79 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.6 t80 -55.02 -24.89 26.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -62.76 -54.04 45.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASP . 1.0 OUTLIER -67.47 -41.99 86.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -47.78 -38.02 14.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.559 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.445 ' CD1' ' HG3' ' A' ' 8' ' ' PRO . 12.7 tp -60.97 -35.77 77.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -76.95 -39.05 52.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 73' ' ' LEU . 7.7 mt -61.65 -31.42 71.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.555 ' CZ2' HD22 ' A' ' 78' ' ' LEU . 13.9 t90 -71.71 -32.45 67.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 108.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.549 HG22 ' CE3' ' A' ' 74' ' ' TRP . 25.5 t -67.97 -50.1 62.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -51.43 -22.59 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.35 -31.55 20.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.961 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.555 HD22 ' CZ2' ' A' ' 74' ' ' TRP . 44.1 mt -51.08 141.15 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -67.73 179.39 0.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.02 -14.69 21.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -94.17 -41.96 9.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -68.72 -56.04 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -40.74 64.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.74 -27.12 38.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -88.66 -61.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CE1' HG13 ' A' ' 90' ' ' ILE . 4.2 t80 -38.88 -47.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -61.11 -44.93 96.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -42.42 -37.4 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.513 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 4.7 t80 -82.09 -33.31 29.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.573 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.4 mm -59.54 -65.33 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 t -41.63 -56.98 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.958 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -48.25 -50.49 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.513 ' HD3' ' CE1' ' A' ' 89' ' ' TYR . 1.3 mptm? -86.25 -168.3 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? 40.02 88.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.43 120.38 23.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 t -159.12 171.83 19.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -110.05 -172.84 20.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -179.06 4.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.9 t -161.14 178.38 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m 56.53 168.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.35 100.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.996 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.4 m -73.77 137.76 44.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.61 85.29 0.51 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -159.38 99.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.0 97.88 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.96 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.67 -98.1 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.79 10.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 158.71 15.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 112.89 11.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.59 16.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 179.18 6.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.423 ' HB2' ' NE2' ' A' ' 17' ' ' GLN . 5.7 mmm -121.37 -58.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -100.06 178.9 4.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.36 -42.82 48.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 25.4 t80 -59.09 -51.27 70.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' NE2' ' HB2' ' A' ' 13' ' ' MET . 19.8 mt-30 -55.05 -29.57 57.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -69.47 -68.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.638 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 26.5 t80 -45.74 -42.24 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.8 m -54.75 -49.65 70.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -54.88 -33.9 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -64.54 -42.62 95.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.638 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -71.16 -30.49 66.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -74.27 -27.03 60.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.64 -21.08 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 79.5 m-20 -76.32 -60.75 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.46 ' O ' ' ND2' ' A' ' 30' ' ' ASN . . . 103.24 25.6 7.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.98 -9.7 59.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -134.77 39.41 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 27' ' ' GLY . 12.9 p30 -89.31 4.53 48.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -85.19 -28.65 25.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.547 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -111.36 162.37 21.25 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 162.11 37.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.487 1.783 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 1.1 tm? -45.8 -57.89 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 10.6 tptm -39.48 -29.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' LEU . 7.4 mm-40 -94.36 -43.68 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 91.4 mtt180 -49.13 -54.31 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.9 mmt -54.89 -16.42 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 1.6 t -91.02 -58.73 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.24 -37.73 37.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 29' ' ' LEU . 40.7 mt -62.65 -59.18 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.8 -33.99 0.46 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -55.63 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -55.46 -36.94 67.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.593 ' CH2' ' HA ' ' A' ' 53' ' ' LYS . 47.7 t-105 -66.02 -32.98 74.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.86 -13.47 60.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' ILE . 23.4 mtp85 -82.68 -59.41 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 47' ' ' ARG . 15.4 pt -40.53 160.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 m -93.92 -175.53 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' SER . 10.0 tp60 -56.94 -54.66 44.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' GLN . 28.4 t -37.78 -64.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -46.47 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.593 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 4.1 mttm -41.62 -39.85 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.62 -56.0 16.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.667 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 50.9 t60 -53.15 -68.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.485 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 7.1 m-85 -38.47 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' HIS . 11.9 ttmt -83.15 -48.73 10.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -59.12 -33.73 71.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.667 ' CD1' ' CD2' ' A' ' 55' ' ' HIS . 79.2 mt -67.01 -45.23 78.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.8 -32.32 8.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' A' ' 57' ' ' LYS . 4.7 mm-40 -72.79 -33.43 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -77.18 -44.36 30.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -40.86 60.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -75.85 -21.12 57.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.24 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -77.67 -39.11 46.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 69' ' ' VAL . 72.9 mm-40 -76.4 -44.94 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.517 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.8 t80 -49.38 -25.17 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -51.53 50.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -69.15 -40.72 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -50.08 -38.65 39.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.55 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 tp -64.26 -35.81 82.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -35.28 54.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.418 ' N ' HD21 ' A' ' 73' ' ' LEU . 6.3 mt -65.06 -34.01 77.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.566 ' CH2' HD11 ' A' ' 78' ' ' LEU . 9.5 t90 -69.8 -28.49 65.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.545 HG22 ' CE3' ' A' ' 74' ' ' TRP . 19.3 t -72.55 -40.84 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -57.06 -21.17 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 -28.48 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.972 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.566 HD11 ' CH2' ' A' ' 74' ' ' TRP . 18.8 mt -52.09 124.96 14.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -53.77 178.39 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 -14.33 21.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.38 -41.38 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.36 -55.82 8.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -37.21 53.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.23 64.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -82.55 -63.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.536 ' CE1' HG13 ' A' ' 90' ' ' ILE . 4.7 t80 -38.43 -46.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -59.42 -47.18 86.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.0 pt-20 -40.8 -39.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.424 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 9.1 t80 -78.47 -36.99 44.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.536 HG13 ' CE1' ' A' ' 86' ' ' TYR . 9.4 mm -55.19 -65.37 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 t -49.77 -56.96 8.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -40.68 -56.61 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -59.2 5.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -39.71 -59.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -110.11 109.38 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.0 p -104.53 95.77 6.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.42 96.85 2.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 117.57 4.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.27 -58.63 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 t -84.69 162.59 19.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.019 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.95 135.53 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 110.043 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -174.14 114.57 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.47 154.71 9.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.24 112.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 0.782 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 t -178.98 145.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.6 -88.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.64 38.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -113.29 117.23 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.42 102.18 0.26 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.1 Cg_endo -75.04 -175.81 2.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.02 -64.26 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 16' ' ' TYR . 2.3 p30 -109.4 147.0 33.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -40.4 -28.74 0.2 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.584 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 12.4 t80 -61.05 -64.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -51.88 -28.32 15.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 2.8 tttt -66.64 -61.32 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.633 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 4.5 t80 -57.87 -47.78 81.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.6 m -43.35 -49.54 6.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -32.26 34.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.1 tt0 -61.52 -50.97 70.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.633 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 5.0 mt -58.4 -17.06 17.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -92.07 -19.6 22.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.41 -31.71 12.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -83.34 -9.46 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.95 13.2 59.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.49 -37.64 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -135.4 41.83 2.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -90.23 18.83 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.586 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 31.0 p-80 -101.07 -17.79 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.586 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -117.39 169.99 6.72 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.5 Cg_endo -75.0 155.93 42.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' ARG . 4.9 tp -44.8 -54.88 5.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -29.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 3.9 mt-10 -95.11 -36.02 11.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' LEU . 67.0 mtt180 -57.31 -69.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.9 mmt -40.56 -65.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 36' ' ' GLU . 2.4 p -43.06 -59.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -54.3 -41.92 69.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.486 HG13 ' CD1' ' A' ' 29' ' ' LEU . 53.4 mt -58.08 -54.34 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.76 -39.56 1.91 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.432 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -61.8 -44.3 97.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -61.62 -52.83 62.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.584 ' CE3' ' HA ' ' A' ' 16' ' ' TYR . 45.4 t-105 -56.66 -31.03 64.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -79.1 -21.37 46.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.337 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 48' ' ' ILE . 8.3 mtt180 -79.5 -52.78 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.47 HD12 ' CE3' ' A' ' 45' ' ' TRP . 9.8 pt -45.92 170.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.65 -167.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 51' ' ' SER . 18.4 tp60 -71.06 -51.35 25.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' GLN . 48.1 t -38.2 -54.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' OE1' ' CD1' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -56.71 -71.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 15.9 mttt -39.37 -43.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.34 -50.04 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.525 ' CD2' HD11 ' A' ' 59' ' ' LEU . 75.5 t60 -57.34 -62.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 17.5 m-85 -50.17 -58.27 5.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.466 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 25.3 ttpt -46.78 -42.89 17.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.99 -56.83 13.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 55' ' ' HIS . 63.3 mt -44.91 -55.4 5.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.16 -47.05 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.11 -42.93 91.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -60.64 -39.98 90.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -54.81 40.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -62.55 -20.29 64.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -75.47 -42.39 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -74.3 -44.67 51.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.52 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.4 t80 -52.87 -22.08 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -57.49 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -64.31 -40.23 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -47.67 -48.74 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.583 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 tp -52.64 -41.66 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -42.16 69.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 73' ' ' LEU . 6.9 mt -59.49 -37.89 79.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.564 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 18.5 t90 -70.05 -29.86 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.529 HG23 ' CE3' ' A' ' 74' ' ' TRP . 29.5 t -72.02 -49.1 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -51.51 -22.05 2.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 m -89.91 -32.06 17.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.564 HD11 ' CZ3' ' A' ' 74' ' ' TRP . 26.0 mt -48.98 131.6 18.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.515 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.94 178.66 0.21 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.949 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.02 -14.83 20.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -93.41 -41.92 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -68.69 -57.54 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -40.28 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.93 -28.51 51.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -86.96 -60.12 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.553 ' CE1' HG13 ' A' ' 90' ' ' ILE . 3.4 t80 -41.24 -47.69 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -40.24 89.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -48.37 -38.21 18.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -79.92 -32.34 40.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.553 HG13 ' CE1' ' A' ' 86' ' ' TYR . 8.0 mm -58.72 -65.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -40.03 -38.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -97.22 65.59 2.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -165.52 -63.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -72.32 -59.37 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.08 176.21 5.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.53 78.39 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -58.96 119.27 17.16 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -178.17 3.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.9 p -150.3 161.37 42.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.991 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.4 p -163.95 145.02 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -174.39 115.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -178.98 151.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.87 148.12 5.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -165.8 109.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 0.802 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.71 157.41 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.05 -89.75 0.7 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.29 35.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -113.88 142.42 46.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.67 108.63 1.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.02 168.77 24.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.49 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 mmm -120.98 -42.85 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -124.34 168.98 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.534 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -61.26 -25.77 65.16 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.123 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.562 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 10.9 t80 -68.48 -67.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -49.02 -27.62 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -64.6 -56.56 13.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 8.1 t80 -66.58 -47.46 72.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' LEU . 20.0 m -43.6 -57.54 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -44.59 -28.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -67.16 -43.78 81.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.639 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 6.6 mt -71.51 -12.31 61.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 mt -93.86 -26.54 16.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.81 -20.14 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 92.7 m-20 -77.6 -61.08 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.37 26.5 6.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -21.42 60.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -123.96 39.67 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.449 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -88.85 10.84 19.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -93.3 -16.97 24.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 HD12 ' CB ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -120.2 166.21 15.85 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.25 41.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' O ' ' C ' ' A' ' 35' ' ' LYS . 3.1 tm? -43.8 -61.97 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 34' ' ' LEU . 8.3 tptt -35.29 -35.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.7 mt-10 -87.42 -47.13 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' LEU . 91.4 mtt180 -43.39 -59.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 41' ' ' ILE . 88.9 mmm -49.7 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.9 p -42.98 -48.1 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.11 -42.6 77.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 29' ' ' LEU . 13.9 mt -58.39 -53.86 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.76 -37.23 1.26 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -45.12 87.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -63.89 -52.0 61.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 36.6 t-105 -58.46 -28.4 65.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -84.22 -18.18 37.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' ILE . 65.4 mtt-85 -78.05 -55.12 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 52' ' ' GLN . 24.1 pt -47.48 173.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -107.46 -174.41 2.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' SER . 16.1 tp60 -54.15 -51.85 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.8 t -36.41 -64.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -46.61 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 81.1 mttt -39.82 -53.53 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.73 -45.37 70.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.492 ' CD2' HD11 ' A' ' 59' ' ' LEU . 58.2 t60 -60.56 -59.63 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 21.2 m-85 -54.0 -63.29 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.47 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 10.4 ptmt -43.42 -40.85 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.23 -59.85 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.492 HD11 ' CD2' ' A' ' 55' ' ' HIS . 63.3 mt -41.25 -57.49 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -38.94 -52.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.11 -45.44 64.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -72.76 -34.97 67.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.46 ' CG ' ' HB3' ' A' ' 11' ' ' PRO . 1.8 tt0 -61.87 -41.96 98.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -76.48 -22.83 54.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -67.66 -40.97 84.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -74.1 -44.79 52.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.554 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 2.2 t80 -48.92 -28.46 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -65.34 -59.63 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -63.35 -41.64 93.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -48.31 -42.41 31.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.583 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.7 tp -59.14 -42.34 90.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -67.28 -48.01 68.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 73' ' ' LEU . 6.9 mt -52.8 -29.37 27.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.56 ' CZ3' HD13 ' A' ' 78' ' ' LEU . 33.7 t90 -76.11 -30.22 58.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.575 HG22 ' CE2' ' A' ' 86' ' ' TYR . 86.0 t -78.1 -33.82 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -68.95 -7.59 36.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -111.42 -11.19 14.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.56 HD13 ' CZ3' ' A' ' 74' ' ' TRP . 12.3 mt -71.42 126.7 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -47.2 174.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.934 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.01 -7.77 19.45 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -94.65 -55.49 3.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -56.36 22.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.511 ' CZ ' ' O ' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -50.12 -47.2 54.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 88' ' ' GLU . . . -53.53 -34.87 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.2 -51.3 9.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CE2' HG22 ' A' ' 75' ' ' VAL . 58.4 t80 -58.53 -57.68 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -31.25 68.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' CB ' ' O ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -61.33 -33.54 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.402 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 5.4 t80 -86.08 -34.14 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.2 mm -59.03 -52.77 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 t -44.76 -56.58 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 22.2 p30 -82.61 52.86 2.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -157.23 -166.98 2.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 93' ' ' LYS . 5.9 mtp85 48.59 -177.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -104.06 134.93 46.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.8 p -51.94 172.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.959 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.46 131.78 3.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.15 4.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.87 150.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.954 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.0 p -163.21 -57.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.93 94.04 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.21 164.57 30.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.95 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.45 63.21 0.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t 70.57 78.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -101.48 70.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.77 -141.38 1.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -174.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.98 26.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.0 103.28 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.62 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -75.05 173.82 13.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.36 2.33 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.438 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 8.6 ptp -146.41 147.88 31.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 74.83 -60.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.14 -23.58 2.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.113 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.533 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 9.0 t80 -65.87 -41.16 91.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' NE2' ' HG2' ' A' ' 13' ' ' MET . 16.1 mt-30 -65.83 -30.02 70.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.162 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -58.45 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.648 ' CZ ' ' CD1' ' A' ' 23' ' ' LEU . 20.0 t80 -56.57 -39.72 73.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' LEU . 24.1 m -57.13 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.23 -31.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -66.39 -42.8 87.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.648 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mt -70.85 -30.88 67.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.49 -27.21 60.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -95.4 -22.27 17.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 76.8 m-20 -75.14 -60.33 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.08 29.71 6.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.08 -17.85 56.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.539 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -126.01 39.28 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.63 10.91 21.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 31.4 p-80 -92.11 -21.51 20.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.638 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -115.22 168.64 7.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.05 155.71 42.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -40.41 -56.38 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -35.91 -55.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -67.34 -49.15 65.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' GLU . 61.5 mtt180 -38.64 -61.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.2 mmt -48.49 -69.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.536 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.2 p -46.48 -48.7 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.48 -41.84 63.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.47 HG13 ' CD1' ' A' ' 29' ' ' LEU . 17.3 mt -62.03 -61.87 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.93 -31.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.11 -54.82 7.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' ILE . 15.5 mtp85 -55.57 -36.19 66.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.558 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 41.7 t-105 -65.34 -31.84 73.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.001 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -2.58 58.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.5 mtp85 -91.62 -50.91 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 52' ' ' GLN . 22.7 pt -49.49 177.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.33 -173.84 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' SER . 20.5 tp60 -56.68 -49.82 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLN . 7.1 t -37.53 -62.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.483 ' HG3' ' CE2' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -48.68 -71.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 52.7 mttt -40.07 -45.81 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.22 -56.26 23.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.568 ' CE1' HD23 ' A' ' 59' ' ' LEU . 17.6 t60 -54.42 -65.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 12.3 m-85 -50.58 -26.11 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 9.6 ttpt -75.89 -24.05 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.539 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -87.31 -42.07 13.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.568 HD23 ' CE1' ' A' ' 55' ' ' HIS . 3.3 mm? -54.17 -57.29 11.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -40.1 -46.12 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 4.2 mt-10 -57.85 -47.68 81.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -63.91 -39.18 93.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -63.11 -48.24 79.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -67.58 -23.61 65.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -71.13 -43.99 66.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.411 ' O ' HG22 ' A' ' 69' ' ' VAL . 32.2 mt-30 -71.69 -44.54 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.62 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 4.2 t80 -53.97 -24.97 18.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -51.14 65.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -71.55 -40.4 71.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -48.83 -45.27 40.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 tp -57.69 -40.37 79.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.65 -39.05 64.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 73' ' ' LEU . 5.8 mt -64.78 -38.88 92.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.555 ' CZ3' HD13 ' A' ' 78' ' ' LEU . 13.1 t90 -66.85 -31.93 72.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 86' ' ' TYR . 24.9 t -67.36 -50.17 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -49.34 -24.29 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.52 -33.92 21.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.555 HD13 ' CZ3' ' A' ' 74' ' ' TRP . 15.4 mt -50.06 122.69 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -51.0 178.62 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.957 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 -16.18 20.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -92.09 -41.47 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.83 -57.87 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -35.73 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.17 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.06 -50.75 7.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CE1' HG21 ' A' ' 75' ' ' VAL . 22.8 t80 -55.15 -59.74 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -35.38 70.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -33.23 67.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.455 ' CZ ' ' HG3' ' A' ' 93' ' ' LYS . 0.8 OUTLIER -88.07 -28.2 21.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.54 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.4 mm -61.91 -66.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.5 t -40.46 -43.73 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -92.17 59.13 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' HG3' ' CZ ' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -157.67 -58.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -66.17 133.45 50.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.4 tttm 44.49 88.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.4 t -64.47 95.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -150.51 172.77 30.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.5 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 75.08 -58.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.952 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.6 t -144.21 100.4 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 151.15 39.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -115.81 131.32 56.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.81 101.53 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.499 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.95 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -174.15 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.76 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 mmm -124.11 -63.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -89.63 -65.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.76 -30.07 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 9.6 t80 -62.28 -32.44 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -72.02 -23.89 61.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -68.79 -58.46 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.075 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 14.6 t80 -54.03 -40.91 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LEU . 39.6 m -60.73 -59.57 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -42.16 -34.55 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -65.79 -45.24 83.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.075 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.9 mt -69.46 -19.58 63.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.41 -27.44 22.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -95.64 -21.06 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' GLU . 14.0 m120 -76.54 -60.64 2.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.49 28.88 6.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -29.95 62.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.773 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.928 HD22 ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -116.23 40.02 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -87.2 7.37 28.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.504 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 44.3 p-80 -88.02 -22.06 24.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.636 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -114.0 169.16 6.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.0 158.73 42.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.615 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -40.22 -55.22 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' LEU . 8.7 tptm -36.99 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.531 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.3 mt-10 -51.28 -50.37 59.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -41.52 -62.05 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.629 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.7 mmt -48.14 -68.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.531 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 4.0 p -46.08 -49.21 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.928 ' OE2' HD22 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -54.98 -40.84 70.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.9 mt -62.5 -63.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.51 -36.2 0.4 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -56.31 7.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -52.04 -38.75 58.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.577 ' CH2' ' HA ' ' A' ' 53' ' ' LYS . 27.2 t-105 -66.25 -30.83 71.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -79.5 -1.81 39.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -96.16 -51.32 4.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.765 HD12 ' HB3' ' A' ' 52' ' ' GLN . 20.6 pt -46.76 171.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.45 173.6 6.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -48.2 -50.53 28.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.0 t -38.87 -66.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.765 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -41.57 -72.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 45.2 mttp -40.99 -50.11 3.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.48 -49.71 69.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.464 ' NE2' HD11 ' A' ' 59' ' ' LEU . 74.2 t60 -56.19 -59.36 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.54 -33.44 60.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -69.14 -40.37 78.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.6 -46.02 77.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.464 HD11 ' NE2' ' A' ' 55' ' ' HIS . 50.5 mt -56.8 -48.79 77.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.34 -39.12 6.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.22 -39.5 89.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -74.65 -43.31 55.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -49.51 76.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -67.13 -21.89 65.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -76.61 -45.29 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.401 ' O ' HG22 ' A' ' 69' ' ' VAL . 34.6 mt-30 -69.52 -46.4 66.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -50.94 -25.0 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -57.34 7.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' H ' HG13 ' A' ' 69' ' ' VAL . 1.4 m -66.32 -41.01 88.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -48.36 -42.38 31.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.591 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.5 tp -58.45 -38.5 77.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.19 -41.29 61.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.7 -34.24 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.039 ' CH2' HD11 ' A' ' 78' ' ' LEU . 21.0 t90 -72.72 -27.84 62.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.024 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.484 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 23.3 t -74.57 -45.57 44.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -52.65 -21.98 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 m -91.42 -33.64 15.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.039 HD11 ' CH2' ' A' ' 74' ' ' TRP . 17.4 mt -46.09 124.97 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -52.5 178.8 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -14.92 20.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -94.15 -40.91 9.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -70.25 -53.44 16.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -37.81 64.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.31 -29.96 67.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -83.58 -61.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.583 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 5.0 t80 -40.24 -46.21 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -60.0 -44.13 94.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.3 pt-20 -42.81 -37.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.421 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 4.3 t80 -81.13 -32.88 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.583 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 6.0 mm . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 127.49 10.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 159.64 14.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 112.23 7.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.09 168.7 24.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -164.99 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.793 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.8 mtm -153.24 160.57 42.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 57' ' ' LYS . 68.3 m-20 61.54 -80.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 13' ' ' MET . . . 162.77 -27.22 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.3 -44.01 76.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -57.2 -30.01 64.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -65.97 -60.82 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.131 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 27.9 t80 -55.81 -44.57 77.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.6 m -54.25 -59.51 4.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -45.41 -34.03 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -64.77 -44.18 90.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.131 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mt -70.15 -19.32 63.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -86.46 -27.4 24.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.66 -21.83 17.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 13.7 m120 -75.78 -60.54 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.03 28.53 6.49 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.35 -18.38 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -125.86 40.03 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -91.22 8.7 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -91.79 -8.16 47.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -129.93 166.92 22.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.06 40.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.585 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.1 tm? -45.7 -58.45 3.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' LEU . 47.8 tptt -38.28 -31.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.563 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.0 mt-10 -92.32 -45.85 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -43.22 -61.37 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 110.341 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.819 ' HA ' HD12 ' A' ' 41' ' ' ILE . 3.9 mmt -49.17 -69.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.563 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.8 p -42.21 -50.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 4.1 tp10 -52.05 -43.78 63.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.819 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.8 mt -58.94 -59.68 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.62 -31.85 0.09 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.41 -55.02 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.953 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -56.51 -41.54 76.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.901 ' CE3' HD11 ' A' ' 48' ' ' ILE . 44.6 t-105 -66.06 -31.7 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -76.58 -10.92 59.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -89.07 -52.38 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.901 HD11 ' CE3' ' A' ' 45' ' ' TRP . 16.9 pt -41.99 162.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.51 -172.24 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' SER . 11.7 tp60 -59.01 -52.15 67.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLN . 40.9 t -38.36 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' HIS . 1.3 mp0 -42.53 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 16.6 mttp -39.22 -50.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -46.99 79.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' GLN . 77.7 t60 -58.02 -61.59 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.91 -33.98 65.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 14' ' ' ASN . 5.8 ttpt -69.04 -42.56 76.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.47 -46.1 81.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 78.6 mt -57.9 -44.49 86.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.65 -73.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 19.4 pt-20 -41.43 -40.4 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 2.4 tt0 -63.66 -50.1 70.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -43.81 44.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -71.85 -19.39 61.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' GLU . 13.0 ttt180 -83.51 -35.14 25.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.634 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 19.2 mt-30 -84.49 -42.43 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.7 t80 -50.81 -20.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.86 -59.13 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.9 m -58.02 -40.48 76.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.634 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -42.54 -50.01 5.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.625 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 75' ' ' VAL . 65.9 mt -52.33 -48.95 65.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.3 -45.05 80.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 73' ' ' LEU . 4.7 mt -65.72 -42.0 91.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.973 ' CH2' HD11 ' A' ' 78' ' ' LEU . 8.0 t90 -63.59 -30.91 71.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 71' ' ' LEU . 49.5 t -69.35 -51.19 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.45 -23.6 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.3 t -88.21 -32.58 18.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.973 HD11 ' CH2' ' A' ' 74' ' ' TRP . 15.2 mt -50.04 124.64 10.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -49.88 179.41 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 -15.66 20.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -94.22 -52.05 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.23 -53.42 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.71 -44.15 85.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.03 40.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.79 -55.42 5.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.547 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 72.3 t80 -49.67 -60.83 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -44.74 76.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -31.98 4.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -89.84 -37.95 14.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.547 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 2.5 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.67 10.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.73 143.0 27.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -57.07 109.55 1.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.01 173.58 14.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.449 1.763 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.425 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -74.99 166.11 29.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.415 ' HG3' ' N ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -116.59 -18.42 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.415 ' N ' ' HG3' ' A' ' 13' ' ' MET . 6.5 p30 -139.58 149.44 43.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.16 -43.51 7.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.418 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 20.8 t80 -53.18 -68.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -42.86 -37.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 2.4 tptt -65.18 -58.3 6.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.974 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 2.3 t80 -55.17 -42.72 73.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.2 m -57.47 -57.46 12.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.17 -32.97 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -63.8 -43.29 96.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.974 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.6 mt -71.11 -27.4 63.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.95 -27.92 57.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.44 -22.6 17.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 12.2 m120 -75.72 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.89 28.21 6.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.35 -17.97 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.681 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -126.7 37.6 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.7 -2.78 51.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 44.8 p-80 -75.05 -16.66 60.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -122.57 168.33 12.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 160.52 39.84 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.602 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -40.88 -56.3 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LEU . 7.4 tptm -35.76 -68.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.4 mt-10 -52.48 -52.6 53.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -38.51 -62.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.597 ' HA ' HD12 ' A' ' 41' ' ' ILE . 8.9 mmt -46.78 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.514 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.9 p -47.39 -47.18 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -58.06 -39.79 79.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 38' ' ' MET . 23.9 mt -61.2 -55.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.74 3.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -52.9 47.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -55.96 -38.53 70.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.676 ' CE3' HD11 ' A' ' 48' ' ' ILE . 45.6 t-105 -66.52 -33.04 74.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -81.14 -9.42 59.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -90.75 -42.45 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.676 HD11 ' CE3' ' A' ' 45' ' ' TRP . 14.7 pt -51.44 -177.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.21 -179.53 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -54.14 -53.43 53.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.6 t -39.09 -49.1 1.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -63.97 -65.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 17.8 mttp -44.05 -48.37 8.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.64 -61.89 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.459 ' NE2' HD11 ' A' ' 59' ' ' LEU . 75.6 t60 -46.96 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -45.53 -44.99 13.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -58.0 -36.68 73.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -70.27 -50.75 36.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.459 HD11 ' NE2' ' A' ' 55' ' ' HIS . 48.3 mt -49.03 -52.72 23.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -39.99 -48.13 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.42 -49.5 67.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -50.51 -57.31 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.17 -43.27 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -71.05 -36.77 72.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 ttt85 -58.41 -44.88 89.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.02 -45.9 55.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 11.8 t80 -48.07 -49.54 31.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -25.46 61.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -87.17 -47.99 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -42.94 -48.45 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.613 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 74' ' ' TRP . 73.1 mt -45.37 -65.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.72 -45.83 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.94 -41.93 98.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.09 ' CH2' HD11 ' A' ' 78' ' ' LEU . 7.4 t90 -66.19 -34.77 78.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' LEU . 50.3 t -63.46 -52.9 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -50.2 -23.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.92 -31.2 20.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.09 HD11 ' CH2' ' A' ' 74' ' ' TRP . 22.8 mt -52.81 132.07 36.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.92 178.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -74.93 -15.87 20.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -94.24 -42.48 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -66.0 -59.02 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -48.36 50.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.93 -29.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 82' ' ' ASP . . . -83.76 -48.48 10.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 23.5 t80 -55.57 -60.17 3.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -39.1 71.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.01 -38.09 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -80.51 -33.89 36.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.52 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 2.3 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HG2' HD12 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.99 130.7 13.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.89 157.51 18.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 114.78 38.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.417 ' CB ' ' HB3' ' A' ' 63' ' ' GLN . 18.3 Cg_endo -75.01 173.84 13.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -168.22 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 15' ' ' GLY . 6.4 mtm -157.48 159.22 37.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 2.7 m-20 66.53 -73.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . 159.13 -31.03 0.44 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.545 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 6.7 t80 -64.85 -45.78 84.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -62.35 -25.84 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -67.99 -61.1 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.093 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 10.7 t80 -54.05 -44.46 71.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 23' ' ' LEU . 60.6 m -50.83 -58.17 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -43.42 -35.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -61.42 -43.82 98.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.093 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.2 mt -69.15 -29.71 67.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.46 -27.92 59.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.367 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -19.86 19.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' GLU . 11.2 m120 -78.11 -60.23 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.78 25.32 8.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.85 -17.61 60.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.495 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -123.67 40.05 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -89.16 9.31 26.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 50.7 p-80 -87.9 -21.04 25.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -123.12 165.54 21.85 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.3 Cg_endo -75.04 160.08 40.45 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 37' ' ' ARG . 4.6 tp -45.33 -56.94 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 5.3 tptm -39.86 -29.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 34' ' ' LEU . 4.4 mm-40 -94.94 -39.19 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' LEU . 82.7 mtt180 -53.86 -53.28 54.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.441 ' HA ' HD12 ' A' ' 41' ' ' ILE . 37.8 mmm -55.82 -15.23 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 1.6 t -91.06 -57.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.31 -40.45 59.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.258 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.503 HG23 ' CD1' ' A' ' 23' ' ' LEU . 30.4 mt -57.52 -59.92 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.62 -36.08 0.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -70.33 -53.26 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -55.59 -43.57 76.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.724 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.1 t-105 -61.32 -30.38 70.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 107.965 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -82.83 -6.76 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' ILE . 27.5 mtp180 -95.57 -42.11 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.724 HD11 ' CE3' ' A' ' 45' ' ' TRP . 19.7 pt -50.12 179.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -115.67 176.72 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -51.23 -52.68 42.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.6 t -39.84 -46.1 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -66.66 -63.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.581 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 35.4 mttt -46.86 -49.58 19.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.04 -60.9 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.418 ' NE2' HD11 ' A' ' 59' ' ' LEU . 78.7 t60 -47.74 -64.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.57 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -48.93 -41.1 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 14' ' ' ASN . 5.6 ttpt -62.51 -52.35 63.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.13 -48.57 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.444 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 87.2 mt -53.55 -56.53 16.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.52 -44.81 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.79 -47.48 77.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -57.45 -60.18 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -42.41 -39.7 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -75.2 -37.49 61.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' GLU . 6.2 ttt180 -55.06 -55.6 29.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.423 ' N ' ' HG2' ' A' ' 65' ' ' ARG . 3.4 mp0 -62.3 -47.61 83.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -46.27 -50.89 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -30.8 61.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 66' ' ' GLN . 15.8 t -82.82 -58.06 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -47.35 -50.72 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.508 HD12 ' HG2' ' A' ' 8' ' ' PRO . 12.7 tp -47.95 -43.28 29.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -43.24 80.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.94 -32.56 72.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.075 ' CH2' HD11 ' A' ' 78' ' ' LEU . 19.5 t90 -70.75 -29.55 65.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 71' ' ' LEU . 44.2 t -72.87 -47.87 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -53.19 -20.78 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.75 -27.86 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.075 HD11 ' CH2' ' A' ' 74' ' ' TRP . 13.0 mt -54.07 125.01 17.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.529 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -50.95 179.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.976 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.05 -17.02 19.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -94.12 -47.41 6.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.2 -52.68 64.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.429 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -58.61 -40.34 82.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.11 -33.47 26.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.78 -51.95 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CE1' HG13 ' A' ' 90' ' ' ILE . 22.7 t80 -52.16 -59.91 3.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -40.27 74.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -33.22 53.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.255 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -87.38 -28.96 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.559 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.5 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.581 ' HG3' HD23 ' A' ' 71' ' ' LEU . 18.3 Cg_endo -75.0 147.09 33.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 147.44 45.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 107.67 0.9 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -74.99 165.84 30.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.63 2.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.435 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 7.1 mtp -156.12 148.45 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 13' ' ' MET . 8.4 m-80 74.77 -58.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 141.2 -43.23 1.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -57.19 -43.82 83.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.17 -30.79 69.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -61.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.038 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 3.4 t80 -50.99 -42.08 60.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 m -57.94 -56.48 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -47.15 -33.37 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.76 -43.08 97.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.038 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.9 -26.01 63.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.0 mt -79.82 -27.36 40.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.37 -20.92 18.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' GLU . 12.3 m120 -76.64 -61.1 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.376 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' ND2' ' A' ' 30' ' ' ASN . . . 103.65 25.63 7.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.9 -18.64 60.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.79 40.47 3.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 27' ' ' GLY . 8.2 p30 -87.45 -2.35 58.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 40.3 p-80 -77.54 -26.72 51.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -108.16 166.79 10.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.99 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.582 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -46.95 -59.06 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 34' ' ' LEU . 14.5 tttm -33.75 -70.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.601 ' HB3' HD22 ' A' ' 32' ' ' LEU . 8.1 mt-10 -52.14 -52.64 50.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -38.52 -62.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.463 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.1 mmt -47.31 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.524 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.5 p -46.99 -47.54 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.57 -34.24 72.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 38' ' ' MET . 23.3 mt -69.69 -54.36 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.7 -38.91 7.85 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -54.33 33.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -55.16 -38.45 68.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.842 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.2 t-105 -63.76 -29.26 70.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 107.988 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -81.07 -1.8 45.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 48' ' ' ILE . 37.2 mtp85 -94.0 -51.98 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.842 HD11 ' CE3' ' A' ' 45' ' ' TRP . 18.9 pt -42.94 164.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.0 p -106.95 164.91 11.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.2 tp-100 -39.07 -58.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' GLN . 9.1 t -38.57 -44.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' CB ' ' HB ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -65.39 -72.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.58 ' HG2' ' CH2' ' A' ' 45' ' ' TRP . 46.7 mttp -38.89 -43.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -56.92 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.468 ' NE2' HD11 ' A' ' 59' ' ' LEU . 77.7 t60 -47.92 -64.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -48.61 -57.77 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 14' ' ' ASN . 4.1 ttpp -47.54 -46.15 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -59.05 -56.6 20.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.468 HD11 ' NE2' ' A' ' 55' ' ' HIS . 47.4 mt -44.48 -56.93 3.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.2 -46.78 2.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -58.32 -45.87 87.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.1 tt0 -66.07 -42.38 89.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -50.95 66.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.09 -33.0 74.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -67.66 -44.54 77.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.624 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 74.3 mt-30 -69.08 -46.68 67.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 2.0 t80 -50.4 -22.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -72.83 -68.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 66' ' ' GLN . 3.1 m -49.45 -41.03 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.087 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.624 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 0.3 OUTLIER -43.29 -56.69 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.596 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 75' ' ' VAL . 67.7 mt -46.08 -48.41 17.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -46.82 81.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 73' ' ' LEU . 5.8 mt -62.9 -43.66 98.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.364 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.098 ' CH2' HD11 ' A' ' 78' ' ' LEU . 8.6 t90 -64.73 -34.12 77.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.007 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 71' ' ' LEU . 40.7 t -64.13 -51.4 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -48.25 -25.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 75' ' ' VAL . 23.3 t -84.75 -36.1 21.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.098 HD11 ' CH2' ' A' ' 74' ' ' TRP . 20.0 mt -47.4 126.34 9.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.508 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -55.34 178.21 0.11 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.08 -14.08 21.06 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -94.13 -40.29 10.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.0 -57.38 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -38.15 49.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.48 -30.52 41.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -84.89 -61.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.512 ' CE1' HG13 ' A' ' 90' ' ' ILE . 21.4 t80 -37.51 -50.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -57.41 -47.29 82.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.4 pt-20 -38.89 -43.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.421 ' N ' ' CG ' ' A' ' 88' ' ' GLU . 6.5 t80 -76.53 -38.75 54.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 86' ' ' TYR . 13.8 mm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.01 27.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 144.53 39.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 109.59 1.86 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.567 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.96 172.86 15.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 164.1 34.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -103.94 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -88.38 174.27 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.55 -31.49 76.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -62.46 -67.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -42.66 -29.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -70.65 -62.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.068 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 8.8 t80 -52.52 -44.6 65.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -57.41 -46.76 83.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -53.08 -35.07 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -64.18 -43.42 95.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.068 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.8 mt -69.62 -25.12 63.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.3 mt -81.55 -27.76 34.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 t -95.15 -20.33 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' GLU . 11.1 m120 -76.79 -60.28 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.47 24.19 8.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.58 -23.82 62.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -125.48 40.15 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -89.4 2.13 54.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -84.44 -13.97 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.61 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -123.6 167.97 13.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.59 42.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' ARG . 5.1 tp -46.03 -56.2 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.475 ' O ' HG12 ' A' ' 39' ' ' VAL . 12.5 tptm -41.1 -29.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.527 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.5 mt-10 -93.76 -36.45 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' LEU . 73.1 mtt180 -56.74 -60.03 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.492 ' HA ' HD12 ' A' ' 41' ' ' ILE . 53.9 mmm -49.11 -67.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.603 HG13 ' H ' ' A' ' 40' ' ' GLU . 2.3 p -39.41 -60.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.603 ' H ' HG13 ' A' ' 39' ' ' VAL . 6.1 tp10 -49.42 -45.42 46.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 38' ' ' MET . 37.1 mt -57.45 -58.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.46 -29.92 0.27 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -56.17 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -51.55 -38.07 52.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.777 ' CE3' HD11 ' A' ' 48' ' ' ILE . 45.5 t-105 -69.08 -32.38 71.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -78.06 -2.32 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 10.6 mtp-105 -97.63 -51.56 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.777 HD11 ' CE3' ' A' ' 45' ' ' TRP . 23.9 pt -45.58 169.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.7 -179.19 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -51.47 -51.44 55.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -38.4 -68.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.526 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -43.93 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 42.1 mttp -38.55 -48.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.54 -52.11 66.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.63 ' NE2' HD11 ' A' ' 59' ' ' LEU . 69.8 t60 -54.64 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.483 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 14.2 m-85 -48.25 -53.85 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 9.5 ttpt -55.81 -31.08 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -73.6 -40.4 63.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.63 HD11 ' NE2' ' A' ' 55' ' ' HIS . 97.8 mt -69.47 -42.09 75.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.46 -34.18 23.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 1.4 mt-10 -73.02 -39.21 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -39.84 87.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -46.77 82.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -68.69 -31.43 70.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -67.37 -42.64 83.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.621 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 34.5 mt-30 -71.15 -45.16 64.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.5 t80 -51.95 -21.75 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -65.64 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 66' ' ' GLN . 2.3 m -53.11 -41.09 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.621 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 0.3 OUTLIER -43.84 -53.6 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.589 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.834 ' O ' HG23 ' A' ' 75' ' ' VAL . 81.4 mt -48.39 -45.9 36.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -45.33 93.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 73' ' ' LEU . 4.8 mt -64.06 -40.06 95.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.871 ' CH2' HD11 ' A' ' 78' ' ' LEU . 9.2 t90 -68.13 -27.82 66.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 71' ' ' LEU . 47.2 t -72.66 -49.29 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -51.73 -23.65 4.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.6 m -87.1 -28.53 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.871 HD11 ' CH2' ' A' ' 74' ' ' TRP . 16.2 mt -57.29 123.78 16.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -53.35 179.67 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.08 -16.18 20.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -94.42 -39.78 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 1.2 m-20 -69.5 -55.09 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -43.26 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.78 -27.4 28.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -81.96 -55.25 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.523 ' CE1' HG13 ' A' ' 90' ' ' ILE . 1.8 t80 -43.55 -43.69 5.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -60.78 -38.15 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.6 pt-20 -47.04 -38.0 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.436 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -80.34 -22.99 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.523 HG13 ' CE1' ' A' ' 86' ' ' TYR . 1.8 mm . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.76 23.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 173.77 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.15 116.46 66.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -163.07 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.9 ptp -150.01 -45.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' TYR . 66.7 m-80 -90.84 133.42 35.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -37.89 -29.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.148 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' ASN . 29.1 t80 -70.33 -64.4 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -41.15 -33.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -69.17 -60.17 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.115 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 13.8 t80 -54.28 -43.77 71.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 21' ' ' GLN . 7.1 p -54.39 -63.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' N ' ' OG ' ' A' ' 20' ' ' SER . 6.4 tm0? -43.49 -32.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.75 -43.01 97.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.115 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mt -71.16 -34.21 70.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.0 mt -72.03 -26.3 62.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 t -95.52 -22.83 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' GLU . 76.4 m-20 -74.29 -59.41 2.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.85 26.5 7.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.8 -23.19 55.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.506 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -126.32 38.84 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.6 p30 -91.07 15.35 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 45.1 p-80 -96.0 -24.58 16.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -110.6 171.02 4.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.91 34.38 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.605 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.75 -56.16 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . 16.2 tptt -36.12 -70.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.3 mt-10 -51.28 -51.83 50.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.43 -63.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.648 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.4 mmt -46.6 -69.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.525 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.7 p -46.55 -48.68 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HB3' HD13 ' A' ' 29' ' ' LEU . 3.2 tp10 -55.62 -37.67 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 38' ' ' MET . 15.9 mt -66.48 -59.74 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.55 -38.22 0.98 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -55.81 15.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.029 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -55.22 -36.11 65.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.762 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.6 t-105 -71.72 -31.98 67.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -77.76 -16.39 58.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -81.35 -53.47 6.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.762 HD11 ' CE3' ' A' ' 45' ' ' TRP . 22.2 pt -44.56 167.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.3 -168.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 51' ' ' SER . 5.9 tp-100 -62.76 -51.28 67.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 8.5 t -38.48 -67.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.437 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -45.8 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.574 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 11.3 mttp -38.85 -46.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.15 -55.38 35.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.456 ' NE2' HD11 ' A' ' 59' ' ' LEU . 63.8 t60 -51.78 -63.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -43.17 -51.58 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -53.95 -35.67 62.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -72.57 -36.04 68.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 47.4 mt -69.45 -41.87 75.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.36 -65.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 11.5 pt-20 -42.1 -45.32 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.495 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 5.9 tt0 -62.23 -53.96 47.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -44.25 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -69.92 -41.69 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.62 -48.63 66.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -69.28 -45.83 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 35.1 t80 -51.87 -62.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -47.28 -33.16 5.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.9 t -76.72 -56.44 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' LEU . 17.9 m170 -43.2 -55.62 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.568 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 75' ' ' VAL . 14.1 mt -41.75 -54.27 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.14 -43.12 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' HIS . 16.1 mt -63.61 -41.84 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.982 ' CH2' HD11 ' A' ' 78' ' ' LEU . 11.6 t90 -65.56 -30.41 71.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.002 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 71' ' ' LEU . 49.9 t -70.19 -38.23 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -64.61 -12.33 44.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.4 m -106.92 6.63 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.982 HD11 ' CH2' ' A' ' 74' ' ' TRP . 22.8 mt -88.89 143.0 27.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -66.21 178.79 0.56 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -75.0 -17.09 19.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -91.36 -48.16 7.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -59.5 -60.96 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -47.1 38.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.47 -54.66 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -63.09 -67.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.529 ' CE2' HD11 ' A' ' 90' ' ' ILE . 87.0 t80 -36.02 -50.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -55.47 -49.73 71.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.4 pt-20 -39.21 -38.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -83.46 -40.63 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.529 HD11 ' CE2' ' A' ' 86' ' ' TYR . 10.0 mm . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.09 28.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -115.05 162.37 17.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 113.85 23.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HG3' ' CB ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 173.23 14.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.96 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 mmm -134.55 -70.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -82.49 167.61 18.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.414 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -62.52 -30.67 77.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -64.44 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -41.72 -30.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -71.99 -64.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.965 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 2.8 t80 -50.67 -46.83 58.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -53.0 -52.59 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.31 -32.66 11.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -63.32 -42.28 98.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.965 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.0 mt -72.23 -30.94 65.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.61 -26.9 61.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.4 t -95.54 -21.7 18.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 9.2 m120 -75.77 -61.08 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.22 23.79 8.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.45 -21.59 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.563 HD13 ' HB3' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -125.61 35.69 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.22 2.02 45.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 44.5 p-80 -81.41 -22.57 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -113.71 166.5 11.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.4 Cg_endo -75.04 157.56 42.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.643 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.3 tm? -38.78 -56.34 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -35.96 -70.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -50.2 -51.27 45.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 2.5 mtm180 -40.25 -67.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.3 mmt -39.8 -32.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 35' ' ' LYS . 1.7 t -77.16 -61.06 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.563 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.2 tp10 -48.04 -36.58 13.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.48 HG13 ' CD1' ' A' ' 29' ' ' LEU . 40.9 mt -66.45 -58.88 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.13 -44.64 7.63 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -52.58 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -58.1 -42.2 85.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 43.2 t-105 -66.52 -31.89 72.9 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.19 -9.03 59.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -87.92 -56.48 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.887 HD12 ' HB3' ' A' ' 52' ' ' GLN . 22.9 pt -44.65 167.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -170.34 1.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.2 tp-100 -59.56 -53.55 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' GLN . 14.7 t -36.71 -59.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.887 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -50.58 -71.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 21.0 mttt -39.13 -45.19 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.22 -59.52 5.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.705 ' NE2' HD11 ' A' ' 59' ' ' LEU . 70.1 t60 -44.85 -64.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 16.9 m-85 -48.69 -50.2 34.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 13.5 ttpp -57.19 -29.64 63.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -76.31 -38.88 55.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.705 HD11 ' NE2' ' A' ' 55' ' ' HIS . 82.9 mt -70.6 -44.66 66.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.16 -35.11 6.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -72.13 -34.46 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -69.47 -37.49 77.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -51.3 70.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.453 ' O ' ' CG ' ' A' ' 68' ' ' LYS . 30.7 mt-30 -65.13 -25.47 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.347 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -73.63 -44.28 57.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.606 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 62.9 mt-30 -68.59 -47.24 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.443 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . 4.9 t80 -56.97 -24.29 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 64' ' ' GLN . 29.7 mmtt -71.37 -63.01 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -57.57 -44.23 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.606 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -41.82 -55.4 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.606 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.1 mt -46.24 -49.65 16.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -43.29 78.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 73' ' ' LEU . 4.3 mt -65.62 -38.9 90.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.695 ' CH2' HD11 ' A' ' 78' ' ' LEU . 7.0 t90 -66.19 -29.16 69.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 71' ' ' LEU . 47.7 t -71.44 -39.11 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -63.67 -14.15 49.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -103.56 10.1 37.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.695 HD11 ' CH2' ' A' ' 74' ' ' TRP . 34.2 mt -95.22 139.92 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.557 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -63.56 -179.02 0.25 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 -15.9 20.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 39.4 tt0 -93.98 -51.03 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.78 -55.16 37.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.45 ' HG3' HG13 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -55.48 -41.28 72.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -50.31 -54.68 19.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -59.39 -66.32 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.592 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 87.5 t80 -37.63 -51.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -45.81 71.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 pt-20 -43.8 -39.03 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -81.47 -40.91 22.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.592 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 19.8 mm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 154.33 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 115.29 33.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.469 ' CG ' ' HA ' ' A' ' 64' ' ' GLN . 18.3 Cg_endo -74.96 173.27 14.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.446 1.761 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -170.95 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.48 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -159.58 146.2 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 5.0 m-20 81.52 -65.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . 150.41 -34.93 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.489 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 10.2 t80 -60.74 -44.46 96.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -66.0 -26.06 67.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -67.26 -56.77 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.07 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 11.8 t80 -60.0 -40.61 89.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' LEU . 29.2 m -55.14 -59.32 4.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -42.67 -35.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -62.54 -43.45 98.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.07 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.0 mt -69.57 -26.45 64.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.28 -28.15 47.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -95.52 -20.62 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' GLU . 11.8 m120 -76.85 -60.52 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.2 28.28 6.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.83 -17.55 59.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 0.803 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.641 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -128.73 40.49 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.37 2.41 56.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 35.3 p-80 -83.7 -24.46 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.649 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -108.16 172.29 3.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.2 Cg_endo -74.97 153.39 41.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -43.03 -56.16 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' HG12 ' A' ' 39' ' ' VAL . 22.9 tptt -40.01 -39.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 4.2 mt-10 -77.82 -47.54 18.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -39.52 -63.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.231 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.721 ' HA ' HD12 ' A' ' 41' ' ' ILE . 9.6 mmt -46.88 -69.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.536 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.6 p -46.17 -49.15 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' A' ' 29' ' ' LEU . 5.1 tp10 -52.94 -40.3 63.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 38' ' ' MET . 13.0 mt -63.81 -60.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.49 -31.42 0.07 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.52 -54.05 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ILE . 3.4 mtp85 -55.86 -40.41 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.722 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.5 t-105 -62.29 -31.54 72.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 107.988 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -80.97 -7.33 59.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.4 mtp85 -93.4 -43.68 8.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.722 HD11 ' CE3' ' A' ' 45' ' ' TRP . 19.0 pt -50.53 -179.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m -118.32 179.68 4.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -52.52 -53.48 45.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.0 t -38.98 -46.27 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -66.96 -62.91 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.537 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 89.6 mttt -46.63 -45.03 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.6 -60.72 2.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.453 ' NE2' HD11 ' A' ' 59' ' ' LEU . 77.4 t60 -49.16 -63.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -49.75 -42.34 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' ASN . 2.2 ttpp -61.09 -45.79 93.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.36 -52.04 66.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.453 HD11 ' NE2' ' A' ' 55' ' ' HIS . 51.9 mt -49.11 -53.33 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.406 ' HB3' ' OE2' ' A' ' 61' ' ' GLU . . . -43.51 -40.86 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 61' ' ' GLU . 2.2 mm-40 -63.16 -42.01 99.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -71.65 -42.84 67.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -44.55 81.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.469 ' HA ' ' CG ' ' A' ' 11' ' ' PRO . 9.9 mt-30 -69.66 -41.14 75.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -45.96 52.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.0 -52.92 63.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.263 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CZ ' HD22 ' A' ' 71' ' ' LEU . 68.2 t80 -52.71 -60.33 3.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' TYR . 29.5 mmmt -40.28 -29.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.453 ' N ' ' C ' ' A' ' 67' ' ' TYR . 57.3 t -88.91 -65.03 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -39.89 -40.45 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.51 HD22 ' CZ ' ' A' ' 67' ' ' TYR . 13.3 tp -58.31 -52.54 65.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -59.79 -42.12 92.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.9 mt -59.43 -38.5 80.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.913 ' CH2' HD11 ' A' ' 78' ' ' LEU . 13.3 t90 -62.83 -27.49 69.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.463 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 94.2 t -81.03 -31.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -71.12 -4.59 26.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.9 t -114.61 -9.04 12.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.913 HD11 ' CH2' ' A' ' 74' ' ' TRP . 14.0 mt -74.01 128.97 36.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' ' 83' ' ' ARG . 0.3 OUTLIER -47.53 175.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 -9.23 20.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.544 1.813 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -94.06 -56.89 2.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.82 -59.3 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.504 ' CZ ' ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -48.54 -50.94 30.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' PRO . . . -44.28 -42.31 6.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -71.45 -64.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.911 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 50.6 t80 -37.71 -48.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.3 OUTLIER -55.43 -48.31 74.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.1 pt-20 -38.69 -39.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.403 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 8.2 t80 -82.0 -38.4 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 7.1 mm . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.28 41.64 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 117.7 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 115.63 1.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.57 16.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.42 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.08 -166.06 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 mmm -126.5 -72.42 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -86.99 177.31 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.97 -33.34 74.53 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 22.8 t80 -62.24 -66.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -43.87 -29.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 7.2 tptt -70.11 -60.74 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.166 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 15.5 t80 -54.84 -45.74 74.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.4 m -52.07 -58.41 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -45.43 -34.64 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.44 -43.15 98.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.166 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.9 mt -69.59 -28.44 65.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.59 -28.01 56.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.19 -21.52 18.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' GLU . 11.6 m120 -76.35 -62.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.94 27.24 7.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -20.23 61.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 0.776 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -127.63 38.91 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -84.48 1.6 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 45.4 p-80 -79.43 -26.63 41.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.558 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -111.17 169.66 6.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 162.45 36.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.605 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.12 -55.81 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -36.1 -68.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -52.37 -52.32 54.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -38.73 -63.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.641 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.9 mmt -46.24 -68.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.9 p -47.46 -47.73 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.403 ' HB3' HD13 ' A' ' 29' ' ' LEU . 5.6 tp10 -56.72 -41.52 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 38' ' ' MET . 20.6 mt -59.7 -55.44 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.05 -38.42 2.56 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -52.66 54.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -56.84 -40.63 76.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.614 ' CE3' HD11 ' A' ' 48' ' ' ILE . 35.3 t-105 -69.58 -32.36 71.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.03 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.44 -13.58 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' ILE . 1.0 OUTLIER -84.24 -58.03 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.835 HD12 ' HB3' ' A' ' 52' ' ' GLN . 20.7 pt -43.06 164.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.36 -170.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.0 tp-100 -58.28 -56.5 21.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.1 t -33.16 -52.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.835 ' HB3' HD12 ' A' ' 48' ' ' ILE . 1.4 tp-100 -54.59 -57.67 10.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.561 ' HD2' ' CH2' ' A' ' 45' ' ' TRP . 6.8 mmtm -50.3 -43.38 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.77 -55.38 20.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.676 ' NE2' HD11 ' A' ' 59' ' ' LEU . 67.1 t60 -48.16 -67.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.52 ' HA ' HD12 ' A' ' 59' ' ' LEU . 11.8 m-85 -51.84 -59.17 4.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 53' ' ' LYS . 12.5 ttpt -46.45 -40.19 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.26 -57.75 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.676 HD11 ' NE2' ' A' ' 55' ' ' HIS . 12.3 mt -45.83 -48.35 15.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.41 -45.89 18.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.62 -32.36 70.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -75.72 -43.46 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -56.56 -43.25 79.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -74.13 -16.33 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -81.46 -37.13 28.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.622 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 27.7 mt-30 -76.97 -45.11 28.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -52.51 -19.96 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -71.8 -54.23 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 70' ' ' HIS . 1.3 m -66.72 -46.75 84.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.622 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 1.2 m-70 -40.01 -54.53 2.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 75' ' ' VAL . 20.6 mt -48.55 -49.64 35.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -44.98 86.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 73' ' ' LEU . 6.2 mt -64.33 -36.34 83.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.069 ' CH2' HD11 ' A' ' 78' ' ' LEU . 12.1 t90 -69.91 -28.19 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 107.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 71' ' ' LEU . 40.5 t -72.34 -50.01 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -49.07 -25.04 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -87.51 -36.6 17.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.069 HD11 ' CH2' ' A' ' 74' ' ' TRP . 19.7 mt -44.41 126.42 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -54.43 178.31 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.99 -15.61 20.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.562 1.822 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -93.3 -39.53 10.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -70.61 -54.76 10.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -40.17 69.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.03 -28.66 58.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -87.47 -61.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.984 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 44.4 t80 -37.86 -46.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -56.51 -48.57 76.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.3 pt-20 -39.6 -38.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.42 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 5.1 t80 -82.55 -38.0 24.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.984 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 4.9 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.7 24.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' LYS . 11.3 mttt -99.19 113.7 26.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -40.07 105.28 0.36 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.46 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.21 18.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.4 ptm -138.69 35.89 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -173.85 138.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.86 -48.45 6.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.532 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 19.3 t80 -57.06 -62.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -48.75 -29.27 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 60' ' ' ALA . 6.0 tptt -73.25 -65.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.92 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 16.5 t80 -46.58 -45.73 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 23' ' ' LEU . 66.9 m -52.29 -59.32 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -43.58 -33.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -63.48 -42.87 98.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.92 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.9 mt -70.17 -26.85 64.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.7 mt -79.29 -27.42 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -95.49 -21.07 18.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' GLU . 10.5 m120 -75.96 -58.95 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.92 26.8 7.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -20.42 58.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.625 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -126.04 39.15 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -93.88 19.91 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -105.44 -19.9 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -115.48 170.35 5.73 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.81 38.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.59 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -48.3 -58.85 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.624 ' O ' HG12 ' A' ' 39' ' ' VAL . 17.0 tttt -38.62 -31.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' O ' HG13 ' A' ' 39' ' ' VAL . 1.5 mt-10 -89.5 -44.62 10.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' LEU . 57.3 mtt180 -47.27 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.644 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.1 mmt -45.18 -69.19 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 35' ' ' LYS . 2.7 p -41.81 -54.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.456 ' H ' HG13 ' A' ' 39' ' ' VAL . 9.4 tp10 -50.7 -40.77 54.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 38' ' ' MET . 30.5 mt -64.16 -60.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.86 -30.69 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.54 -51.92 15.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.006 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' ILE . 10.8 mtp180 -57.55 -40.5 79.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.79 ' CE3' HD11 ' A' ' 48' ' ' ILE . 45.0 t-105 -61.96 -30.55 71.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 107.985 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -77.47 -16.94 58.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' ILE . 43.9 mtp180 -80.03 -52.45 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.79 HD11 ' CE3' ' A' ' 45' ' ' TRP . 19.1 pt -44.34 167.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.7 m -111.13 173.21 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.4 tp-100 -44.7 -59.08 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' GLN . 9.2 t -38.39 -39.96 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' CB ' ' HB ' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -72.26 -72.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.556 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 30.5 mttt -39.47 -38.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.43 -54.97 18.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.729 ' CE1' HD21 ' A' ' 59' ' ' LEU . 50.3 t60 -50.0 -68.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.522 ' HA ' HD23 ' A' ' 59' ' ' LEU . 11.4 m-85 -44.32 -43.54 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.46 -29.56 50.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.772 ' HD2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.73 -44.19 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.772 HD22 ' HD2' ' A' ' 58' ' ' LYS . 2.4 mm? -49.18 -60.98 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -37.72 -45.4 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.05 -50.67 68.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -52.56 -58.81 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -47.21 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -66.99 -35.59 80.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -61.67 -39.45 91.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.4 ' O ' HG22 ' A' ' 69' ' ' VAL . 41.5 mt-30 -75.12 -45.22 42.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.507 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.1 t80 -55.43 -19.0 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -69.89 -54.44 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.41 ' H ' HG13 ' A' ' 69' ' ' VAL . 1.2 m -66.66 -43.42 90.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.4 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -46.11 -52.54 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.588 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 75' ' ' VAL . 6.7 tp -48.34 -39.5 22.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -37.68 65.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.28 -35.94 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.99 ' CH2' HD11 ' A' ' 78' ' ' LEU . 14.9 t90 -69.01 -29.14 67.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 71' ' ' LEU . 35.4 t -72.3 -48.61 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -51.55 -23.22 3.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -88.1 -32.45 18.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.928 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.99 HD11 ' CH2' ' A' ' 74' ' ' TRP . 34.0 mt -49.57 135.42 18.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -65.05 179.37 0.41 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.01 -13.55 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -94.04 -42.69 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.54 -57.76 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -35.58 30.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.93 -31.97 65.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -81.79 -61.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.551 ' CE1' HD11 ' A' ' 90' ' ' ILE . 4.1 t80 -39.74 -48.36 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -44.01 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 pt-20 -46.74 -36.14 6.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.432 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 6.0 t80 -79.46 -34.53 41.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.551 HD11 ' CE1' ' A' ' 86' ' ' TYR . 4.4 mm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 162.11 37.7 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.69 136.06 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 105.57 0.49 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.558 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.98 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.0 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.564 1.823 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.7 mmm -134.65 -65.34 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -92.04 173.47 7.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.53 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -66.62 -34.2 86.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.551 1.157 . . . . 0.0 111.069 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.535 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 22.4 t80 -60.23 -62.12 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -47.74 -30.27 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -69.93 -62.0 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.17 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 28.6 t80 -50.74 -43.93 58.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' LEU . 74.9 m -54.42 -61.57 2.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.89 -32.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -67.23 -43.97 80.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.17 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.1 mt -71.54 -29.15 64.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.1 mt -75.75 -27.61 58.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -95.38 -20.74 18.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 8.9 m120 -76.37 -60.36 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.32 29.35 6.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.89 -30.82 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.708 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -113.58 40.08 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.01 1.06 56.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 35.0 p-80 -82.13 -24.94 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -110.14 170.77 4.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.79 30.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.598 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -53.01 -56.1 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 39' ' ' VAL . 3.6 tptt -41.71 -28.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.8 mt-10 -90.1 -50.81 5.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -38.96 -64.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.8 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.5 mmt -46.28 -69.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.536 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.2 p -45.2 -49.18 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.57 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.7 tp10 -53.24 -43.34 67.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.364 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 38' ' ' MET . 15.7 mt -58.86 -59.95 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.77 -32.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -72.8 -53.8 10.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 110.032 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 41' ' ' ILE . 25.2 mtp180 -59.32 -30.72 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.559 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 46.0 t-105 -70.45 -33.06 70.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -82.06 -1.98 50.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' ILE . 38.2 mtp180 -90.75 -53.54 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.949 HD12 ' HB3' ' A' ' 52' ' ' GLN . 20.5 pt -47.94 174.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.0 m -106.69 -174.32 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.3 tp-100 -54.86 -51.75 64.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLN . 10.6 t -36.57 -65.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.949 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -46.14 -71.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.559 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 14.1 mttt -39.57 -44.87 1.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.48 -63.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.819 ' CE1' HD21 ' A' ' 59' ' ' LEU . 11.1 t60 -43.95 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.629 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 9.6 m-85 -47.24 -40.07 15.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -63.54 -25.16 68.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.533 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -84.75 -47.61 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.819 HD21 ' CE1' ' A' ' 55' ' ' HIS . 2.9 mm? -51.81 -53.01 44.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.66 -41.41 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.71 -42.63 95.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -65.91 -42.74 89.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -46.9 79.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -70.93 -23.16 62.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -73.03 -39.72 65.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.4 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 36.3 mt-30 -74.4 -45.55 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.558 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.1 t80 -53.39 -20.82 4.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 111.02 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -57.07 5.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.98 -40.84 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 0.5 OUTLIER -48.26 -42.78 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.459 ' HA ' HD12 ' A' ' 71' ' ' LEU . 6.4 tp -58.63 -40.03 82.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -39.05 70.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt -60.86 -35.38 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.046 ' CH2' HD11 ' A' ' 78' ' ' LEU . 14.5 t90 -71.7 -28.15 63.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 108.031 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 71' ' ' LEU . 30.4 t -74.7 -42.76 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -56.57 -18.97 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.6 m -95.95 -23.63 16.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.046 HD11 ' CH2' ' A' ' 74' ' ' TRP . 15.5 mt -57.51 125.67 23.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -54.76 178.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -14.89 20.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -94.09 -37.93 11.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.89 -54.71 9.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -38.74 66.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.85 -29.17 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -84.88 -60.9 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.487 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 4.5 t80 -38.43 -45.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -60.37 -47.67 85.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.7 pt-20 -39.75 -39.89 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 12.8 t80 -77.23 -39.29 49.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.487 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 16.5 mm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 150.95 38.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -119.8 136.45 54.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 100.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 173.45 14.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.463 ' CG ' ' HB2' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.0 151.92 40.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.2 ptm -143.22 64.58 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 171.3 -53.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.06 -41.56 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.513 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 12.2 t80 -68.39 -40.27 81.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -67.39 -25.09 65.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HB2' ' CG ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -67.86 -61.09 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.134 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 16.9 t80 -54.9 -39.45 68.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 m -58.26 -56.13 26.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -48.8 -32.28 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -65.93 -41.32 91.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.134 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.7 mt -72.1 -26.12 62.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.4 mt -78.39 -27.23 46.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.4 -20.91 18.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.957 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 10.5 m120 -76.28 -60.82 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.29 28.01 7.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.65 -23.52 58.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -124.1 39.19 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -86.34 1.77 49.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 39.6 p-80 -80.37 -23.14 40.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -114.49 169.36 6.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.04 30.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.613 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -45.69 -56.09 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -35.89 -68.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.515 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -52.52 -53.31 47.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' GLU . 1.1 mtm180 -37.8 -62.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.64 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.4 mmt -46.91 -68.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.515 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.7 p -47.4 -47.83 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.7 tp10 -55.79 -40.71 73.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 38' ' ' MET . 18.6 mt -61.68 -57.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -41.41 -39.93 2.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -51.15 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 0.757 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 14.1 mtp180 -59.01 -45.8 89.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.772 ' CE3' HD11 ' A' ' 48' ' ' ILE . 35.8 t-105 -59.11 -29.23 67.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.033 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -77.19 -12.95 60.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' CD ' ' HA ' ' A' ' 44' ' ' ARG . 0.4 OUTLIER -88.62 -52.08 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.772 HD11 ' CE3' ' A' ' 45' ' ' TRP . 15.0 pt -40.76 160.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.89 164.77 12.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -41.29 -55.04 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 t -39.19 -44.73 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.56 ' NE2' HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -61.32 -72.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.578 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 33.1 mttp -42.86 -38.92 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.12 -57.51 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.852 ' CE1' HD21 ' A' ' 59' ' ' LEU . 10.7 t60 -52.76 -66.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.586 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.573 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 10.3 m-85 -45.62 -33.13 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -69.98 -31.6 69.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -77.41 -44.11 30.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.852 HD21 ' CE1' ' A' ' 55' ' ' HIS . 2.7 mm? -51.99 -49.43 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.33 -41.85 9.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.05 -39.02 93.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.35 -42.47 54.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -60.39 -48.1 83.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -69.16 -19.91 64.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -75.85 -45.64 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.618 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 70.9 mt-30 -70.82 -45.55 64.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.518 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.4 t80 -52.23 -22.86 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -68.77 -58.89 3.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' H ' HG13 ' A' ' 69' ' ' VAL . 1.7 m -63.22 -40.77 90.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.618 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -46.34 -51.33 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.621 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.0 tp -50.06 -41.66 48.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.99 -38.9 79.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.526 HD22 ' HE3' ' A' ' 76' ' ' LYS . 8.1 mt -62.18 -40.8 97.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.97 ' CH2' HD11 ' A' ' 78' ' ' LEU . 20.6 t90 -67.35 -25.26 65.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' LEU . 34.3 t -78.41 -40.87 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.526 ' HE3' HD22 ' A' ' 73' ' ' LEU . 5.1 mtmt -56.9 -20.17 21.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -94.91 -29.48 14.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.97 HD11 ' CH2' ' A' ' 74' ' ' TRP . 14.2 mt -49.32 124.72 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -53.91 178.57 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -74.99 -15.85 20.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -93.14 -39.35 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -69.7 -56.4 7.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -40.3 62.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.97 -25.58 30.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -90.83 -60.67 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.929 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 3.0 t80 -39.59 -45.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -58.47 -46.18 87.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.6 pt-20 -41.34 -38.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.409 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 7.9 t80 -80.05 -35.86 36.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.929 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 6.2 mm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.28 35.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.62 123.95 51.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 109.87 0.64 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.465 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.94 170.06 21.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.12 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -151.14 154.79 37.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 61.24 -81.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . . . 168.96 -30.5 0.16 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -67.52 -38.71 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -65.43 -29.54 70.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -65.49 -63.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.17 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 23.5 t80 -53.58 -43.7 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' LEU . 56.5 m -54.86 -62.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -42.67 -33.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -65.76 -44.6 85.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.17 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mt -69.6 -27.08 64.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 mt -78.68 -27.51 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 t -95.36 -20.28 19.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' GLU . 12.2 m120 -77.73 -62.23 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.03 27.28 6.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.64 -16.83 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -127.68 39.37 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.58 -1.12 57.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 38.6 p-80 -78.82 -24.56 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -110.26 170.54 5.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.2 Cg_endo -75.05 151.28 39.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.769 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.533 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -40.8 -56.28 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.5 tptt -38.89 -41.45 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.2 mt-10 -76.89 -48.85 17.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HD2' HD22 ' A' ' 34' ' ' LEU . 2.9 mtt180 -38.18 -62.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.754 ' HA ' HD12 ' A' ' 41' ' ' ILE . 8.7 mmt -46.96 -69.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.536 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.4 p -46.75 -48.16 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -54.26 -43.49 71.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.7 mt -58.07 -59.44 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.23 -32.92 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -72.27 -52.99 13.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' ILE . 18.8 mtp180 -60.54 -30.95 70.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.566 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 43.8 t-105 -70.02 -33.06 71.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.05 -1.75 55.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -89.78 -51.0 5.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.03 HD12 ' HB3' ' A' ' 52' ' ' GLN . 21.7 pt -50.74 179.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.2 m -113.1 -174.9 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.5 tp-100 -55.24 -50.24 69.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.7 t -37.19 -58.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 1.03 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -53.28 -72.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.566 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 18.0 mttp -39.83 -41.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -60.56 -54.89 39.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.832 ' NE2' HD11 ' A' ' 59' ' ' LEU . 48.3 t60 -59.38 -66.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 7.8 m-85 -43.3 -25.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' O ' ' OE2' ' A' ' 61' ' ' GLU . 18.3 ttpt -88.55 -47.65 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.61 -29.81 70.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.832 HD11 ' NE2' ' A' ' 55' ' ' HIS . 47.9 mt -73.54 -44.96 56.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.69 -37.52 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 61' ' ' GLU . 5.5 mm-40 -66.68 -35.05 79.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.43 1.081 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -71.65 -39.56 70.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -45.99 87.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -72.43 -16.3 61.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -81.38 -38.02 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.44 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 72.3 mt-30 -78.86 -43.82 24.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.535 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -54.5 -19.88 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -70.31 -53.93 14.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -67.71 -41.37 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 1.1 m-70 -48.16 -45.29 33.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.596 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.9 tp -56.16 -40.03 73.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -40.4 67.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.3 -37.53 77.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.059 ' CH2' HD11 ' A' ' 78' ' ' LEU . 19.4 t90 -67.74 -31.78 71.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 71' ' ' LEU . 49.8 t -72.7 -45.53 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -55.16 -19.58 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.79 -24.46 16.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.059 HD11 ' CH2' ' A' ' 74' ' ' TRP . 14.1 mt -56.8 126.22 25.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -52.05 179.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -74.98 -17.56 19.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.449 1.763 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 6.5 tt0 -92.01 -50.93 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -56.22 -56.18 24.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.366 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.41 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.11 -40.77 67.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -52.43 -27.47 16.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.44 -48.29 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.569 ' CE1' HG13 ' A' ' 90' ' ' ILE . 20.6 t80 -53.92 -59.41 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -40.06 75.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.28 -33.25 41.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -87.8 -28.31 21.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.6 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 147.26 33.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -117.69 133.55 55.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.65 107.35 0.77 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -177.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -155.28 139.32 16.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 13' ' ' MET . 4.6 m-20 82.58 -62.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.56 -33.54 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -66.25 -39.49 89.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -67.07 -25.0 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -60.63 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.191 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 19.6 t80 -58.42 -41.67 85.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LEU . 23.0 m -54.64 -62.68 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -43.32 -35.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -62.58 -43.91 97.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.191 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.98 -22.97 63.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -81.03 -28.75 35.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.23 -19.9 19.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' GLU . 12.3 m120 -77.56 -61.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.62 26.64 7.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.46 -18.94 61.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -126.79 37.05 4.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -87.31 -1.68 58.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 40.2 p-80 -77.05 -25.15 52.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.616 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -110.21 170.42 5.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 18.4 Cg_endo -74.97 156.95 43.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.58 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -44.29 -56.37 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' HG12 ' A' ' 39' ' ' VAL . 9.5 tptt -40.14 -34.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.523 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.4 mm-40 -83.83 -49.95 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' GLU . 4.3 mtt180 -38.07 -63.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.728 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.7 mmt -46.29 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.523 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.4 p -46.01 -48.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.6 tp10 -54.56 -41.26 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 38' ' ' MET . 18.8 mt -61.53 -60.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.7 -32.08 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.16 -54.25 8.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.036 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ILE . 24.6 mtp180 -57.29 -36.43 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 44.4 t-105 -66.35 -33.12 75.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -84.15 -5.4 59.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -87.66 -51.42 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.993 HD12 ' HB3' ' A' ' 52' ' ' GLN . 16.3 pt -48.73 175.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.48 -171.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.5 tp-100 -59.73 -51.81 68.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' GLN . 28.4 t -37.06 -57.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.993 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -53.09 -72.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 110.346 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 47.1 mttt -40.23 -39.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.19 -61.23 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.871 ' CE1' HD11 ' A' ' 59' ' ' LEU . 6.9 t-80 -50.87 -68.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 8.1 m-85 -41.59 -27.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' HIS . 3.6 ttpp -83.85 -45.25 13.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.476 ' C ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -63.52 -40.99 98.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.871 HD11 ' CE1' ' A' ' 55' ' ' HIS . 77.9 mt -59.93 -46.63 88.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.502 ' HB3' ' OE2' ' A' ' 61' ' ' GLU . . . -49.83 -43.41 48.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.502 ' OE2' ' HB3' ' A' ' 60' ' ' ALA . 2.1 mm-40 -61.61 -36.81 81.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -44.65 63.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -40.0 77.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -78.44 -14.98 59.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -81.37 -37.12 28.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.553 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 25.5 mt-30 -78.84 -42.67 26.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.3 t80 -53.74 -22.08 8.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -69.17 -52.13 31.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.1 m -69.95 -40.97 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 1.4 m-70 -48.6 -38.89 22.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.6 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.2 tp -63.88 -38.92 92.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -47.95 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.1 mt -54.45 -34.7 61.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.824 ' CH2' HD11 ' A' ' 78' ' ' LEU . 19.2 t90 -69.42 -34.92 75.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 107.985 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 71' ' ' LEU . 42.1 t -68.97 -35.23 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -67.04 -15.22 63.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -101.8 7.63 41.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.824 HD11 ' CH2' ' A' ' 74' ' ' TRP . 25.4 mt -91.88 147.62 22.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.544 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -73.12 -179.82 0.96 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -15.36 20.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.424 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 7.7 tt0 -93.63 -52.52 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -55.47 -56.57 18.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -45.86 71.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -44.32 -51.04 8.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -65.61 -61.92 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 90' ' ' ILE . 88.4 t80 -42.36 -50.43 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -36.84 69.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -52.57 -35.83 54.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -84.02 -38.81 20.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 86' ' ' TYR . 7.7 mm . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.602 ' HG3' HD12 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -75.05 138.98 23.61 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' CE2' ' A' ' 67' ' ' TYR . 6.7 mttt -53.92 -176.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -133.96 78.82 58.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.8 13.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.3 mmm -127.8 -59.19 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -98.06 -177.54 3.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.04 -34.7 61.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.485 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 17.4 t80 -61.1 -64.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -46.97 -30.16 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -68.78 -60.84 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.087 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 10.6 t80 -54.86 -44.43 73.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' LEU . 38.8 m -55.39 -56.92 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -44.53 -34.54 2.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -64.34 -43.77 93.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.087 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.3 -24.78 63.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.2 mt -80.6 -27.55 37.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.58 -20.66 18.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' GLU . 13.8 m120 -77.56 -62.43 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.56 26.58 7.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.2 -17.62 61.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -128.23 37.22 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.99 0.45 48.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 43.4 p-80 -78.97 -21.49 47.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -116.02 169.51 6.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 161.77 38.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.612 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.24 -56.09 3.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 34' ' ' LEU . 13.7 tptt -36.08 -66.09 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -54.39 -53.32 55.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -37.95 -62.07 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.644 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.7 mmt -47.35 -68.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.513 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.7 p -47.54 -47.5 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.89 -37.81 69.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.7 mt -66.11 -55.51 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.36 -32.84 1.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -53.97 11.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -54.86 -43.7 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.739 ' CE3' HD11 ' A' ' 48' ' ' ILE . 37.0 t-105 -63.14 -27.5 69.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -81.97 -7.01 59.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' ILE . 13.6 mtp-105 -93.29 -46.31 7.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.739 HD11 ' CE3' ' A' ' 45' ' ' TRP . 26.3 pt -49.04 177.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.97 -174.82 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . 34.2 tp60 -55.92 -53.86 51.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -38.74 -46.3 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -66.08 -59.62 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 13.6 mttt -49.54 -44.18 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -60.38 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 59' ' ' LEU . 76.9 t60 -48.53 -65.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.414 ' HA ' HD12 ' A' ' 59' ' ' LEU . 21.2 m-85 -46.85 -53.8 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -51.99 -43.74 63.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -61.56 -55.1 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD11 ' NE2' ' A' ' 55' ' ' HIS . 51.4 mt -44.14 -53.37 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.02 -48.6 6.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -55.81 -40.07 72.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' LEU . 8.3 tp10 -69.73 -36.04 75.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.15 -50.16 72.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -68.23 -31.5 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.46 -44.17 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.534 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 36.9 mt-30 -73.78 -44.79 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.6 t80 -55.02 -24.89 26.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -62.76 -54.04 45.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASP . 1.0 OUTLIER -67.47 -41.99 86.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 2.0 m-70 -47.78 -38.02 14.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.559 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.602 HD12 ' HG3' ' A' ' 8' ' ' PRO . 12.7 tp -60.97 -35.77 77.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -76.95 -39.05 52.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mt -61.65 -31.42 71.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.999 ' CH2' HD11 ' A' ' 78' ' ' LEU . 13.9 t90 -71.71 -32.45 67.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 108.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.43 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 25.5 t -67.97 -50.1 62.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -51.43 -22.59 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.35 -31.55 20.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.961 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.999 HD11 ' CH2' ' A' ' 74' ' ' TRP . 44.1 mt -51.08 141.15 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -67.73 179.39 0.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.02 -14.69 21.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -94.17 -41.96 9.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -68.72 -56.04 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -40.74 64.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.74 -27.12 38.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -88.66 -61.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CE1' HG13 ' A' ' 90' ' ' ILE . 4.2 t80 -38.88 -47.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -61.11 -44.93 96.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -42.42 -37.4 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -82.09 -33.31 29.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.573 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.4 mm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.79 10.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 158.71 15.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 112.89 11.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.59 16.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 179.18 6.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.7 mmm -121.37 -58.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -100.06 178.9 4.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.36 -42.82 48.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.536 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 25.4 t80 -59.09 -51.27 70.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -55.05 -29.57 57.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -69.47 -68.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.154 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 26.5 t80 -45.74 -42.24 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.8 m -54.75 -49.65 70.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -54.88 -33.9 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -64.54 -42.62 95.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.154 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -71.16 -30.49 66.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -74.27 -27.03 60.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.64 -21.08 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 9.7 m120 -76.32 -60.75 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.46 ' O ' ' ND2' ' A' ' 30' ' ' ASN . . . 103.24 25.6 7.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.8 mt-10 -77.98 -9.7 59.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -134.77 39.41 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 27' ' ' GLY . 12.9 p30 -89.31 4.53 48.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -85.19 -28.65 25.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.547 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD12 ' HG2' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -111.36 162.37 21.25 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 162.11 37.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.487 1.783 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.622 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.1 tm? -45.8 -57.89 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 10.6 tptm -39.48 -29.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' LEU . 7.4 mm-40 -94.36 -43.68 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.511 ' HG2' HD12 ' A' ' 32' ' ' LEU . 91.4 mtt180 -49.13 -54.31 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.572 ' HG3' HD11 ' A' ' 34' ' ' LEU . 2.9 mmt -54.89 -16.42 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 1.6 t -91.02 -58.73 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.24 -37.73 37.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.474 HG13 ' CD1' ' A' ' 29' ' ' LEU . 40.7 mt -62.65 -59.18 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.8 -33.99 0.46 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -55.63 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -55.46 -36.94 67.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.778 ' CE3' HD11 ' A' ' 48' ' ' ILE . 47.7 t-105 -66.02 -32.98 74.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.86 -13.47 60.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' ILE . 23.4 mtp85 -82.68 -59.41 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.778 HD11 ' CE3' ' A' ' 45' ' ' TRP . 15.4 pt -40.53 160.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 m -93.92 -175.53 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' SER . 5.6 tp-100 -56.94 -54.66 44.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' GLN . 28.4 t -37.78 -64.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -46.47 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.625 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 4.1 mttm -41.62 -39.85 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.62 -56.0 16.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.86 ' CE1' HD11 ' A' ' 59' ' ' LEU . 22.0 t-80 -53.15 -68.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.485 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 7.1 m-85 -38.47 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' HIS . 11.9 ttmt -83.15 -48.73 10.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -59.12 -33.73 71.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.86 HD11 ' CE1' ' A' ' 55' ' ' HIS . 79.2 mt -67.01 -45.23 78.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.409 ' HB3' ' OE2' ' A' ' 61' ' ' GLU . . . -48.8 -32.32 8.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' A' ' 57' ' ' LYS . 4.7 mm-40 -72.79 -33.43 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -77.18 -44.36 30.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -40.86 60.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -75.85 -21.12 57.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.24 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -77.67 -39.11 46.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.426 ' O ' HG22 ' A' ' 69' ' ' VAL . 72.9 mm-40 -76.4 -44.94 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.517 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.8 t80 -49.38 -25.17 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -51.53 50.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -69.15 -40.72 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -50.08 -38.65 39.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.55 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 tp -64.26 -35.81 82.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -35.28 54.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.06 -34.01 77.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.049 ' CH2' HD11 ' A' ' 78' ' ' LEU . 9.5 t90 -69.8 -28.49 65.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.54 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 19.3 t -72.55 -40.84 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -57.06 -21.17 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 -28.48 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.972 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.049 HD11 ' CH2' ' A' ' 74' ' ' TRP . 18.8 mt -52.09 124.96 14.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -53.77 178.39 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 -14.33 21.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.38 -41.38 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.36 -55.82 8.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -37.21 53.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.23 64.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -82.55 -63.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.616 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 4.7 t80 -38.43 -46.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -59.42 -47.18 86.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.0 pt-20 -40.8 -39.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.424 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 9.1 t80 -78.47 -36.99 44.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.616 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 9.4 mm . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.64 38.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -113.29 117.23 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.42 102.18 0.26 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.449 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.1 Cg_endo -75.04 -175.81 2.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.02 -64.26 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 16' ' ' TYR . 2.3 p30 -109.4 147.0 33.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 57' ' ' LYS . . . -40.4 -28.74 0.2 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.572 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 12.4 t80 -61.05 -64.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -51.88 -28.32 15.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 2.8 tttt -66.64 -61.32 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.011 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 4.5 t80 -57.87 -47.78 81.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.6 m -43.35 -49.54 6.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -32.26 34.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.1 tt0 -61.52 -50.97 70.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.011 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 5.0 mt -58.4 -17.06 17.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD21 HD11 ' A' ' 41' ' ' ILE . 30.3 mt -92.07 -19.6 22.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.41 -31.71 12.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -83.34 -9.46 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.95 13.2 59.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.49 -37.64 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -135.4 41.83 2.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -90.23 18.83 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 31.0 p-80 -101.07 -17.79 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.585 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -117.39 169.99 6.72 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.5 Cg_endo -75.0 155.93 42.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' ARG . 4.9 tp -44.8 -54.88 5.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -41.31 -29.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.6 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.9 mt-10 -95.11 -36.02 11.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' LEU . 67.0 mtt180 -57.31 -69.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.536 ' HA ' HD12 ' A' ' 41' ' ' ILE . 19.9 mmt -40.56 -65.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.607 HG13 ' H ' ' A' ' 40' ' ' GLU . 2.4 p -43.06 -59.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.607 ' H ' HG13 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -54.3 -41.92 69.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 HD21 ' A' ' 24' ' ' LEU . 53.4 mt -58.08 -54.34 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.76 -39.56 1.91 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.431 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -61.8 -44.3 97.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -61.62 -52.83 62.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' A' ' 16' ' ' TYR . 45.4 t-105 -56.66 -31.03 64.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -79.1 -21.37 46.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.337 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 48' ' ' ILE . 8.3 mtt180 -79.5 -52.78 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.849 HG21 ' OE1' ' A' ' 52' ' ' GLN . 9.8 pt -45.92 170.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.65 -167.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.2 tp-100 -71.06 -51.35 25.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' GLN . 48.1 t -38.2 -54.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.849 ' OE1' HG21 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -56.71 -71.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 15.9 mttt -39.37 -43.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.34 -50.04 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' GLN . 75.5 t60 -57.34 -62.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 17.5 m-85 -50.17 -58.27 5.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' N ' ' HA3' ' A' ' 15' ' ' GLY . 25.3 ttpt -46.78 -42.89 17.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.99 -56.83 13.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' GLU . 63.3 mt -44.91 -55.4 5.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.16 -47.05 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.11 -42.93 91.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -60.64 -39.98 90.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -54.81 40.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -62.55 -20.29 64.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -75.47 -42.39 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.599 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 76.2 mt-30 -74.3 -44.67 51.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.52 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.4 t80 -52.87 -22.08 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -57.49 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.5 m -64.31 -40.23 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.599 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 0.5 OUTLIER -47.67 -48.74 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.583 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.9 tp -52.64 -41.66 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -42.16 69.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.49 -37.89 79.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.042 ' CH2' HD11 ' A' ' 78' ' ' LEU . 18.5 t90 -70.05 -29.86 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 71' ' ' LEU . 29.5 t -72.02 -49.1 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -51.51 -22.05 2.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 m -89.91 -32.06 17.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.042 HD11 ' CH2' ' A' ' 74' ' ' TRP . 26.0 mt -48.98 131.6 18.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.515 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.94 178.66 0.21 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.949 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.02 -14.83 20.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -93.41 -41.92 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -68.69 -57.54 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -40.28 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.93 -28.51 51.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -86.96 -60.12 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.553 ' CE1' HG13 ' A' ' 90' ' ' ILE . 3.4 t80 -41.24 -47.69 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -40.24 89.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -48.37 -38.21 18.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -79.92 -32.34 40.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.553 HG13 ' CE1' ' A' ' 86' ' ' TYR . 8.0 mm . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.29 35.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -113.88 142.42 46.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.67 108.63 1.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.553 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.02 168.77 24.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.49 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 mmm -120.98 -42.85 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -124.34 168.98 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.534 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -61.26 -25.77 65.16 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.123 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.554 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 10.9 t80 -68.48 -67.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -49.02 -27.62 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -64.6 -56.56 13.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.015 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 8.1 t80 -66.58 -47.46 72.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' LEU . 20.0 m -43.6 -57.54 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -44.59 -28.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -67.16 -43.78 81.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.015 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 6.6 mt -71.51 -12.31 61.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.426 HD21 HD11 ' A' ' 41' ' ' ILE . 11.6 mt -93.86 -26.54 16.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.81 -20.14 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 15.8 m120 -77.6 -61.08 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.37 26.5 6.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -21.42 60.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -123.96 39.67 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.449 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -88.85 10.84 19.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -93.3 -16.97 24.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -120.2 166.21 15.85 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.25 41.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.499 ' C ' HD13 ' A' ' 34' ' ' LEU . 3.1 tm? -43.8 -61.97 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 34' ' ' LEU . 8.3 tptt -35.29 -35.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.531 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.7 mt-10 -87.42 -47.13 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' LEU . 91.4 mtt180 -43.39 -59.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.848 ' HA ' HD12 ' A' ' 41' ' ' ILE . 88.9 mmm -49.7 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.531 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.9 p -42.98 -48.1 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.11 -42.6 77.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 38' ' ' MET . 13.9 mt -58.39 -53.86 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.76 -37.23 1.26 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -45.12 87.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -63.89 -52.0 61.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 36.6 t-105 -58.46 -28.4 65.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -84.22 -18.18 37.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' ILE . 65.4 mtt-85 -78.05 -55.12 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.954 HD12 ' HB3' ' A' ' 52' ' ' GLN . 24.1 pt -47.48 173.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -107.46 -174.41 2.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' SER . 16.1 tp60 -54.15 -51.85 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.8 t -36.41 -64.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.954 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -46.61 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 81.1 mttt -39.82 -53.53 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.73 -45.37 70.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.444 ' NE2' HD11 ' A' ' 59' ' ' LEU . 58.2 t60 -60.56 -59.63 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 21.2 m-85 -54.0 -63.29 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.433 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 10.4 ptmt -43.42 -40.85 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.23 -59.85 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' GLU . 63.3 mt -41.25 -57.49 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -38.94 -52.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.11 -45.44 64.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -72.76 -34.97 67.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.46 ' CG ' ' HB3' ' A' ' 11' ' ' PRO . 1.8 tt0 -61.87 -41.96 98.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -76.48 -22.83 54.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -67.66 -40.97 84.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.441 ' O ' HG22 ' A' ' 69' ' ' VAL . 39.3 mt-30 -74.1 -44.79 52.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.553 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 2.2 t80 -48.92 -28.46 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -65.34 -59.63 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.5 m -63.35 -41.64 93.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -48.31 -42.41 31.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.583 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 71' ' ' LEU . 8.7 tp -59.14 -42.34 90.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -67.28 -48.01 68.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 73' ' ' LEU . 6.9 mt -52.8 -29.37 27.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.985 ' CH2' HD11 ' A' ' 78' ' ' LEU . 33.7 t90 -76.11 -30.22 58.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 71' ' ' LEU . 86.0 t -78.1 -33.82 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -68.95 -7.59 36.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -111.42 -11.19 14.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.985 HD11 ' CH2' ' A' ' 74' ' ' TRP . 12.3 mt -71.42 126.7 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -47.2 174.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.934 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.01 -7.77 19.45 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -94.65 -55.49 3.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -56.36 22.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.511 ' CZ ' ' O ' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -50.12 -47.2 54.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 88' ' ' GLU . . . -53.53 -34.87 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.2 -51.3 9.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 58.4 t80 -58.53 -57.68 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -31.25 68.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' CB ' ' O ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -61.33 -33.54 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -86.08 -34.14 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.545 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 2.2 mm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -174.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.98 26.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.0 103.28 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.621 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -75.05 173.82 13.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.36 2.33 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.6 ptp -146.41 147.88 31.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 m120 74.83 -60.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.14 -23.58 2.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.113 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.509 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 9.0 t80 -65.87 -41.16 91.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -65.83 -30.02 70.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.162 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -58.45 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.162 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 20.0 t80 -56.57 -39.72 73.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' LEU . 24.1 m -57.13 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.23 -31.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -66.39 -42.8 87.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.162 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mt -70.85 -30.88 67.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.49 -27.21 60.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -95.4 -22.27 17.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 22' ' ' GLU . 9.7 m120 -75.14 -60.33 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.08 29.71 6.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.08 -17.85 56.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.546 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -126.01 39.28 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.63 10.91 21.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.546 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 31.4 p-80 -92.11 -21.51 20.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.638 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.537 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -115.22 168.64 7.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.05 155.71 42.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.605 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -40.41 -56.38 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -35.91 -55.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.547 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -67.34 -49.15 65.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' GLU . 61.5 mtt180 -38.64 -61.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.676 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.2 mmt -48.49 -69.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.547 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.2 p -46.48 -48.7 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.48 -41.84 63.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 38' ' ' MET . 17.3 mt -62.03 -61.87 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.93 -31.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.11 -54.82 7.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' ILE . 15.5 mtp85 -55.57 -36.19 66.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.558 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 41.7 t-105 -65.34 -31.84 73.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.001 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -2.58 58.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.5 mtp85 -91.62 -50.91 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.983 HD12 ' HB3' ' A' ' 52' ' ' GLN . 22.7 pt -49.49 177.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.33 -173.84 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' SER . 20.5 tp60 -56.68 -49.82 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLN . 7.1 t -37.53 -62.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.983 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -48.68 -71.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 52.7 mttt -40.07 -45.81 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.22 -56.26 23.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.648 ' CE1' HD21 ' A' ' 59' ' ' LEU . 17.6 t60 -54.42 -65.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 12.3 m-85 -50.58 -26.11 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 9.6 ttpt -75.89 -24.05 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -87.31 -42.07 13.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.648 HD21 ' CE1' ' A' ' 55' ' ' HIS . 3.3 mm? -54.17 -57.29 11.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -40.1 -46.12 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 4.2 mt-10 -57.85 -47.68 81.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -63.91 -39.18 93.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -63.11 -48.24 79.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -67.58 -23.61 65.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -71.13 -43.99 66.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.47 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 32.2 mt-30 -71.69 -44.54 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.621 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 4.2 t80 -53.97 -24.97 18.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -51.14 65.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -71.55 -40.4 71.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.47 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -48.83 -45.27 40.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.6 tp -57.69 -40.37 79.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.65 -39.05 64.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.78 -38.88 92.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.081 ' CH2' HD11 ' A' ' 78' ' ' LEU . 13.1 t90 -66.85 -31.93 72.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 71' ' ' LEU . 24.9 t -67.36 -50.17 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -49.34 -24.29 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.52 -33.92 21.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.081 HD11 ' CH2' ' A' ' 74' ' ' TRP . 15.4 mt -50.06 122.69 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -51.0 178.62 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.957 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 -16.18 20.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -92.09 -41.47 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.83 -57.87 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -35.73 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.17 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.06 -50.75 7.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.54 ' CE1' HG13 ' A' ' 90' ' ' ILE . 22.8 t80 -55.15 -59.74 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -35.38 70.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -33.23 67.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -88.07 -28.2 21.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.54 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.4 mm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.79 162.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.48 117.71 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.21 149.39 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.41 -54.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.766 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.52 165.11 24.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.82 -87.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 151.15 39.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -115.81 131.32 56.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.81 101.53 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.499 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.95 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -174.15 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.76 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 mmm -124.11 -63.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -89.63 -65.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.76 -30.07 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 9.6 t80 -62.28 -32.44 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -72.02 -23.89 61.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -68.79 -58.46 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.075 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 14.6 t80 -54.03 -40.91 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LEU . 39.6 m -60.73 -59.57 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -42.16 -34.55 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -65.79 -45.24 83.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.075 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.9 mt -69.46 -19.58 63.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.41 -27.44 22.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -95.64 -21.06 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' GLU . 14.0 m120 -76.54 -60.64 2.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.49 28.88 6.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -29.95 62.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.773 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.928 HD22 ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -116.23 40.02 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -87.2 7.37 28.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.504 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 44.3 p-80 -88.02 -22.06 24.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.636 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -114.0 169.16 6.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.0 158.73 42.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.615 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -40.22 -55.22 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' LEU . 8.7 tptm -36.99 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.531 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.3 mt-10 -51.28 -50.37 59.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -41.52 -62.05 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.629 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.7 mmt -48.14 -68.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.531 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 4.0 p -46.08 -49.21 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.928 ' OE2' HD22 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -54.98 -40.84 70.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.9 mt -62.5 -63.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.51 -36.2 0.4 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -56.31 7.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -52.04 -38.75 58.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.577 ' CH2' ' HA ' ' A' ' 53' ' ' LYS . 27.2 t-105 -66.25 -30.83 71.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -79.5 -1.81 39.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -96.16 -51.32 4.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.765 HD12 ' HB3' ' A' ' 52' ' ' GLN . 20.6 pt -46.76 171.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.45 173.6 6.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -48.2 -50.53 28.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.0 t -38.87 -66.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.765 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -41.57 -72.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 45.2 mttp -40.99 -50.11 3.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.48 -49.71 69.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.464 ' NE2' HD11 ' A' ' 59' ' ' LEU . 74.2 t60 -56.19 -59.36 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.54 -33.44 60.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -69.14 -40.37 78.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.6 -46.02 77.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.464 HD11 ' NE2' ' A' ' 55' ' ' HIS . 50.5 mt -56.8 -48.79 77.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.34 -39.12 6.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.22 -39.5 89.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -74.65 -43.31 55.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -49.51 76.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -67.13 -21.89 65.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -76.61 -45.29 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.401 ' O ' HG22 ' A' ' 69' ' ' VAL . 34.6 mt-30 -69.52 -46.4 66.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -50.94 -25.0 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -57.34 7.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' H ' HG13 ' A' ' 69' ' ' VAL . 1.4 m -66.32 -41.01 88.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -48.36 -42.38 31.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.591 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.5 tp -58.45 -38.5 77.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.19 -41.29 61.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.7 -34.24 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.039 ' CH2' HD11 ' A' ' 78' ' ' LEU . 21.0 t90 -72.72 -27.84 62.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.024 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.484 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 23.3 t -74.57 -45.57 44.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -52.65 -21.98 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 m -91.42 -33.64 15.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.039 HD11 ' CH2' ' A' ' 74' ' ' TRP . 17.4 mt -46.09 124.97 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -52.5 178.8 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -14.92 20.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -94.15 -40.91 9.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -70.25 -53.44 16.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -37.81 64.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.31 -29.96 67.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -83.58 -61.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.583 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 5.0 t80 -40.24 -46.21 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -60.0 -44.13 94.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.3 pt-20 -42.81 -37.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.457 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 4.3 t80 -81.13 -32.88 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.583 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 6.0 mm -59.8 -65.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.7 t -46.1 -49.13 16.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -50.53 -53.29 31.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.4 OUTLIER -78.7 175.47 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 4.2 ptp180 44.99 -169.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.62 97.95 2.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.6 m -42.44 144.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.52 121.63 7.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.41 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.797 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.1 t -144.05 171.58 14.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.1 t -105.1 -59.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.927 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.46 162.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.35 81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.79 -162.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.79 -54.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m 61.37 159.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.67 -92.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 127.49 10.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 159.64 14.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 112.23 7.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.09 168.7 24.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -164.99 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.793 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.8 mtm -153.24 160.57 42.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 57' ' ' LYS . 68.3 m-20 61.54 -80.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 13' ' ' MET . . . 162.77 -27.22 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.3 -44.01 76.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -57.2 -30.01 64.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -65.97 -60.82 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.131 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 27.9 t80 -55.81 -44.57 77.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.6 m -54.25 -59.51 4.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -45.41 -34.03 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -64.77 -44.18 90.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.131 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mt -70.15 -19.32 63.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -86.46 -27.4 24.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.66 -21.83 17.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 13.7 m120 -75.78 -60.54 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.03 28.53 6.49 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.35 -18.38 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -125.86 40.03 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -91.22 8.7 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -91.79 -8.16 47.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -129.93 166.92 22.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.06 40.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.585 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.1 tm? -45.7 -58.45 3.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' LEU . 47.8 tptt -38.28 -31.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.563 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.0 mt-10 -92.32 -45.85 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -43.22 -61.37 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 110.341 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.819 ' HA ' HD12 ' A' ' 41' ' ' ILE . 3.9 mmt -49.17 -69.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.563 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.8 p -42.21 -50.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 4.1 tp10 -52.05 -43.78 63.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.819 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.8 mt -58.94 -59.68 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.62 -31.85 0.09 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.41 -55.02 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.953 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -56.51 -41.54 76.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.901 ' CE3' HD11 ' A' ' 48' ' ' ILE . 44.6 t-105 -66.06 -31.7 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -76.58 -10.92 59.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -89.07 -52.38 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.901 HD11 ' CE3' ' A' ' 45' ' ' TRP . 16.9 pt -41.99 162.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.51 -172.24 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' SER . 11.7 tp60 -59.01 -52.15 67.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLN . 40.9 t -38.36 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' HIS . 1.3 mp0 -42.53 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 16.6 mttp -39.22 -50.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -46.99 79.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' GLN . 77.7 t60 -58.02 -61.59 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.91 -33.98 65.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 14' ' ' ASN . 5.8 ttpt -69.04 -42.56 76.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.47 -46.1 81.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 78.6 mt -57.9 -44.49 86.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.65 -73.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 19.4 pt-20 -41.43 -40.4 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 2.4 tt0 -63.66 -50.1 70.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -43.81 44.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -71.85 -19.39 61.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' GLU . 13.0 ttt180 -83.51 -35.14 25.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.634 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 19.2 mt-30 -84.49 -42.43 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.7 t80 -50.81 -20.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.86 -59.13 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.9 m -58.02 -40.48 76.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.634 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -42.54 -50.01 5.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.625 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 75' ' ' VAL . 65.9 mt -52.33 -48.95 65.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.3 -45.05 80.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 73' ' ' LEU . 4.7 mt -65.72 -42.0 91.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.973 ' CH2' HD11 ' A' ' 78' ' ' LEU . 8.0 t90 -63.59 -30.91 71.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 71' ' ' LEU . 49.5 t -69.35 -51.19 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.45 -23.6 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.3 t -88.21 -32.58 18.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.973 HD11 ' CH2' ' A' ' 74' ' ' TRP . 15.2 mt -50.04 124.64 10.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -49.88 179.41 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 -15.66 20.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -94.22 -52.05 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.23 -53.42 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.71 -44.15 85.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.03 40.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.79 -55.42 5.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.547 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 72.3 t80 -49.67 -60.83 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -44.74 76.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -31.98 4.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -89.84 -37.95 14.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.547 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 2.5 mm -57.34 -59.77 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 t -40.4 -44.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -98.12 67.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.77 -69.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -58.61 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -87.15 176.52 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 t -179.02 85.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -152.03 149.7 21.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -62.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.63 175.88 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.74 159.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.17 135.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.06 118.69 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.89 163.59 25.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.03 101.35 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -171.95 145.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.4 -100.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.67 10.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.73 143.0 27.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -57.07 109.55 1.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.01 173.58 14.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.449 1.763 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -74.99 166.11 29.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.415 ' HG3' ' N ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -116.59 -18.42 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.415 ' N ' ' HG3' ' A' ' 13' ' ' MET . 6.5 p30 -139.58 149.44 43.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.16 -43.51 7.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 20.8 t80 -53.18 -68.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -42.86 -37.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 2.4 tptt -65.18 -58.3 6.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.974 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 2.3 t80 -55.17 -42.72 73.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.2 m -57.47 -57.46 12.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.17 -32.97 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -63.8 -43.29 96.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.974 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.6 mt -71.11 -27.4 63.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.95 -27.92 57.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.44 -22.6 17.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 12.2 m120 -75.72 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.89 28.21 6.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.35 -17.97 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.681 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -126.7 37.6 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.7 -2.78 51.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 44.8 p-80 -75.05 -16.66 60.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -122.57 168.33 12.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 160.52 39.84 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.602 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -40.88 -56.3 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LEU . 7.4 tptm -35.76 -68.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.4 mt-10 -52.48 -52.6 53.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -38.51 -62.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.597 ' HA ' HD12 ' A' ' 41' ' ' ILE . 8.9 mmt -46.78 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.514 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.9 p -47.39 -47.18 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -58.06 -39.79 79.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 38' ' ' MET . 23.9 mt -61.2 -55.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.74 3.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -52.9 47.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -55.96 -38.53 70.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.676 ' CE3' HD11 ' A' ' 48' ' ' ILE . 45.6 t-105 -66.52 -33.04 74.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -81.14 -9.42 59.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -90.75 -42.45 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.676 HD11 ' CE3' ' A' ' 45' ' ' TRP . 14.7 pt -51.44 -177.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.21 -179.53 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -54.14 -53.43 53.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.6 t -39.09 -49.1 1.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -63.97 -65.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 17.8 mttp -44.05 -48.37 8.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.64 -61.89 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.459 ' NE2' HD11 ' A' ' 59' ' ' LEU . 75.6 t60 -46.96 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -45.53 -44.99 13.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -58.0 -36.68 73.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -70.27 -50.75 36.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.459 HD11 ' NE2' ' A' ' 55' ' ' HIS . 48.3 mt -49.03 -52.72 23.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -39.99 -48.13 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.42 -49.5 67.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -50.51 -57.31 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.17 -43.27 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -71.05 -36.77 72.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 ttt85 -58.41 -44.88 89.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.02 -45.9 55.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 11.8 t80 -48.07 -49.54 31.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -25.46 61.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -87.17 -47.99 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -42.94 -48.45 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.613 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 74' ' ' TRP . 73.1 mt -45.37 -65.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.72 -45.83 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.94 -41.93 98.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.09 ' CH2' HD11 ' A' ' 78' ' ' LEU . 7.4 t90 -66.19 -34.77 78.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' LEU . 50.3 t -63.46 -52.9 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -50.2 -23.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.92 -31.2 20.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.09 HD11 ' CH2' ' A' ' 74' ' ' TRP . 22.8 mt -52.81 132.07 36.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.92 178.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -74.93 -15.87 20.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -94.24 -42.48 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -66.0 -59.02 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -48.36 50.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.93 -29.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 82' ' ' ASP . . . -83.76 -48.48 10.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 23.5 t80 -55.57 -60.17 3.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -39.1 71.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.462 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -52.01 -38.09 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 5.6 t80 -80.51 -33.89 36.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.52 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 2.3 mm -57.62 -51.38 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 t -47.16 -49.02 23.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 16.5 p30 -92.18 59.39 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HD3' ' CE2' ' A' ' 89' ' ' TYR . 13.3 ttpp -150.05 -57.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.52 167.08 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tttp 58.7 174.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 t -114.15 -60.5 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 138.4 98.96 0.46 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.93 3.91 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.421 1.748 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.82 124.94 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 p -96.81 -57.56 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -155.66 106.58 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -115.41 -58.82 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.74 -152.26 21.43 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.69 -60.12 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.9 163.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.54 119.99 1.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HG2' HD12 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.99 130.7 13.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.89 157.51 18.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 114.78 38.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.417 ' CB ' ' HB3' ' A' ' 63' ' ' GLN . 18.3 Cg_endo -75.01 173.84 13.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -168.22 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 15' ' ' GLY . 6.4 mtm -157.48 159.22 37.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 2.7 m-20 66.53 -73.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . 159.13 -31.03 0.44 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.545 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 6.7 t80 -64.85 -45.78 84.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -62.35 -25.84 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -67.99 -61.1 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.093 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 10.7 t80 -54.05 -44.46 71.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 23' ' ' LEU . 60.6 m -50.83 -58.17 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -43.42 -35.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -61.42 -43.82 98.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.093 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.2 mt -69.15 -29.71 67.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.46 -27.92 59.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.367 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -19.86 19.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' GLU . 11.2 m120 -78.11 -60.23 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.78 25.32 8.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.85 -17.61 60.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.495 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -123.67 40.05 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -89.16 9.31 26.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 50.7 p-80 -87.9 -21.04 25.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -123.12 165.54 21.85 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.3 Cg_endo -75.04 160.08 40.45 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 37' ' ' ARG . 4.6 tp -45.33 -56.94 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 5.3 tptm -39.86 -29.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 34' ' ' LEU . 4.4 mm-40 -94.94 -39.19 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' LEU . 82.7 mtt180 -53.86 -53.28 54.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.441 ' HA ' HD12 ' A' ' 41' ' ' ILE . 37.8 mmm -55.82 -15.23 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 1.6 t -91.06 -57.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.31 -40.45 59.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.258 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.503 HG23 ' CD1' ' A' ' 23' ' ' LEU . 30.4 mt -57.52 -59.92 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.62 -36.08 0.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -70.33 -53.26 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -55.59 -43.57 76.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.724 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.1 t-105 -61.32 -30.38 70.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 107.965 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -82.83 -6.76 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' ILE . 27.5 mtp180 -95.57 -42.11 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.724 HD11 ' CE3' ' A' ' 45' ' ' TRP . 19.7 pt -50.12 179.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -115.67 176.72 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -51.23 -52.68 42.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.6 t -39.84 -46.1 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -66.66 -63.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.581 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 35.4 mttt -46.86 -49.58 19.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.04 -60.9 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.418 ' NE2' HD11 ' A' ' 59' ' ' LEU . 78.7 t60 -47.74 -64.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.57 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -48.93 -41.1 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 14' ' ' ASN . 5.6 ttpt -62.51 -52.35 63.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.13 -48.57 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.444 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 87.2 mt -53.55 -56.53 16.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.52 -44.81 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.79 -47.48 77.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -57.45 -60.18 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -42.41 -39.7 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -75.2 -37.49 61.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' GLU . 6.2 ttt180 -55.06 -55.6 29.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.423 ' N ' ' HG2' ' A' ' 65' ' ' ARG . 3.4 mp0 -62.3 -47.61 83.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -46.27 -50.89 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -30.8 61.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 66' ' ' GLN . 15.8 t -82.82 -58.06 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -47.35 -50.72 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.508 HD12 ' HG2' ' A' ' 8' ' ' PRO . 12.7 tp -47.95 -43.28 29.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -43.24 80.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.94 -32.56 72.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.075 ' CH2' HD11 ' A' ' 78' ' ' LEU . 19.5 t90 -70.75 -29.55 65.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 71' ' ' LEU . 44.2 t -72.87 -47.87 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -53.19 -20.78 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.75 -27.86 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.075 HD11 ' CH2' ' A' ' 74' ' ' TRP . 13.0 mt -54.07 125.01 17.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.529 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -50.95 179.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.976 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.05 -17.02 19.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -94.12 -47.41 6.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.2 -52.68 64.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.429 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -58.61 -40.34 82.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.11 -33.47 26.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.78 -51.95 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CE1' HG13 ' A' ' 90' ' ' ILE . 22.7 t80 -52.16 -59.91 3.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -40.27 74.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -33.22 53.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.255 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -87.38 -28.96 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.559 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.5 mm -62.08 -65.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -40.05 -48.04 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.57 57.39 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -154.15 -52.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -66.18 -57.76 6.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.03 -68.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.01 166.7 13.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -132.65 109.34 0.83 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.8 29.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.1 m -117.14 -56.17 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.7 t 64.25 144.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p -172.52 133.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.08 140.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.045 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.03 120.32 1.43 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.38 111.97 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 0.0 110.047 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 179.71 159.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.36 -95.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.581 ' HG3' HD23 ' A' ' 71' ' ' LEU . 18.3 Cg_endo -75.0 147.09 33.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 147.44 45.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 107.67 0.9 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -74.99 165.84 30.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.63 2.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.435 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 7.1 mtp -156.12 148.45 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 13' ' ' MET . 8.4 m-80 74.77 -58.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 141.2 -43.23 1.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -57.19 -43.82 83.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.17 -30.79 69.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -61.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.038 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 3.4 t80 -50.99 -42.08 60.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 m -57.94 -56.48 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -47.15 -33.37 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.76 -43.08 97.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.038 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.9 -26.01 63.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.0 mt -79.82 -27.36 40.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.37 -20.92 18.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' GLU . 12.3 m120 -76.64 -61.1 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.376 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' ND2' ' A' ' 30' ' ' ASN . . . 103.65 25.63 7.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.9 -18.64 60.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.79 40.47 3.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 27' ' ' GLY . 8.2 p30 -87.45 -2.35 58.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 40.3 p-80 -77.54 -26.72 51.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -108.16 166.79 10.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.99 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.582 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -46.95 -59.06 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 34' ' ' LEU . 14.5 tttm -33.75 -70.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.601 ' HB3' HD22 ' A' ' 32' ' ' LEU . 8.1 mt-10 -52.14 -52.64 50.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -38.52 -62.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.463 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.1 mmt -47.31 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.524 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.5 p -46.99 -47.54 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.57 -34.24 72.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 38' ' ' MET . 23.3 mt -69.69 -54.36 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.7 -38.91 7.85 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -54.33 33.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -55.16 -38.45 68.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.842 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.2 t-105 -63.76 -29.26 70.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 107.988 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -81.07 -1.8 45.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 48' ' ' ILE . 37.2 mtp85 -94.0 -51.98 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.842 HD11 ' CE3' ' A' ' 45' ' ' TRP . 18.9 pt -42.94 164.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.0 p -106.95 164.91 11.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.2 tp-100 -39.07 -58.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' GLN . 9.1 t -38.57 -44.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' CB ' ' HB ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -65.39 -72.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.58 ' HG2' ' CH2' ' A' ' 45' ' ' TRP . 46.7 mttp -38.89 -43.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -56.92 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.468 ' NE2' HD11 ' A' ' 59' ' ' LEU . 77.7 t60 -47.92 -64.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -48.61 -57.77 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 14' ' ' ASN . 4.1 ttpp -47.54 -46.15 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -59.05 -56.6 20.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.468 HD11 ' NE2' ' A' ' 55' ' ' HIS . 47.4 mt -44.48 -56.93 3.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.2 -46.78 2.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -58.32 -45.87 87.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.1 tt0 -66.07 -42.38 89.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -50.95 66.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.09 -33.0 74.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -67.66 -44.54 77.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.624 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 74.3 mt-30 -69.08 -46.68 67.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 2.0 t80 -50.4 -22.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -72.83 -68.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 66' ' ' GLN . 3.1 m -49.45 -41.03 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.087 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.624 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 0.3 OUTLIER -43.29 -56.69 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.596 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 75' ' ' VAL . 67.7 mt -46.08 -48.41 17.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -46.82 81.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 73' ' ' LEU . 5.8 mt -62.9 -43.66 98.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.364 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.098 ' CH2' HD11 ' A' ' 78' ' ' LEU . 8.6 t90 -64.73 -34.12 77.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.007 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 71' ' ' LEU . 40.7 t -64.13 -51.4 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -48.25 -25.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 75' ' ' VAL . 23.3 t -84.75 -36.1 21.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.098 HD11 ' CH2' ' A' ' 74' ' ' TRP . 20.0 mt -47.4 126.34 9.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.508 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -55.34 178.21 0.11 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.08 -14.08 21.06 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -94.13 -40.29 10.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.0 -57.38 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -38.15 49.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.48 -30.52 41.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -84.89 -61.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.512 ' CE1' HG13 ' A' ' 90' ' ' ILE . 21.4 t80 -37.51 -50.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -57.41 -47.29 82.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.4 pt-20 -38.89 -43.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.54 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 6.5 t80 -76.53 -38.75 54.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 86' ' ' TYR . 13.8 mm -54.11 -66.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 t -42.03 -57.82 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -42.71 -51.23 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.54 ' HD2' ' CE1' ' A' ' 89' ' ' TYR . 0.4 OUTLIER -87.31 -173.07 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER 47.46 -175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 147.69 43.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.3 t -144.83 -51.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.007 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -57.12 121.38 25.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -174.53 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.52 162.94 32.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.04 171.24 7.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.572 1.17 . . . . 0.0 111.05 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -144.94 120.3 10.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.6 120.14 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.46 145.73 5.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -175.44 127.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.99 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.5 m -86.79 83.73 7.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.85 -98.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.01 27.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 144.53 39.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 109.59 1.86 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.567 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.96 172.86 15.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 164.1 34.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -103.94 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -88.38 174.27 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.55 -31.49 76.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -62.46 -67.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -42.66 -29.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -70.65 -62.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.068 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 8.8 t80 -52.52 -44.6 65.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -57.41 -46.76 83.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -53.08 -35.07 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -64.18 -43.42 95.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.068 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.8 mt -69.62 -25.12 63.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.3 mt -81.55 -27.76 34.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 t -95.15 -20.33 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' GLU . 11.1 m120 -76.79 -60.28 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.47 24.19 8.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.58 -23.82 62.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -125.48 40.15 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -89.4 2.13 54.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -84.44 -13.97 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.61 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -123.6 167.97 13.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.59 42.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' ARG . 5.1 tp -46.03 -56.2 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.475 ' O ' HG12 ' A' ' 39' ' ' VAL . 12.5 tptm -41.1 -29.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.527 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.5 mt-10 -93.76 -36.45 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' LEU . 73.1 mtt180 -56.74 -60.03 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.492 ' HA ' HD12 ' A' ' 41' ' ' ILE . 53.9 mmm -49.11 -67.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.603 HG13 ' H ' ' A' ' 40' ' ' GLU . 2.3 p -39.41 -60.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.603 ' H ' HG13 ' A' ' 39' ' ' VAL . 6.1 tp10 -49.42 -45.42 46.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 38' ' ' MET . 37.1 mt -57.45 -58.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.46 -29.92 0.27 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -56.17 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -51.55 -38.07 52.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.777 ' CE3' HD11 ' A' ' 48' ' ' ILE . 45.5 t-105 -69.08 -32.38 71.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -78.06 -2.32 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 10.6 mtp-105 -97.63 -51.56 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.777 HD11 ' CE3' ' A' ' 45' ' ' TRP . 23.9 pt -45.58 169.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.7 -179.19 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -51.47 -51.44 55.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -38.4 -68.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.526 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -43.93 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 42.1 mttp -38.55 -48.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.54 -52.11 66.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.63 ' NE2' HD11 ' A' ' 59' ' ' LEU . 69.8 t60 -54.64 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.483 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 14.2 m-85 -48.25 -53.85 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 9.5 ttpt -55.81 -31.08 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -73.6 -40.4 63.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.63 HD11 ' NE2' ' A' ' 55' ' ' HIS . 97.8 mt -69.47 -42.09 75.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.46 -34.18 23.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 1.4 mt-10 -73.02 -39.21 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -39.84 87.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -46.77 82.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -68.69 -31.43 70.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -67.37 -42.64 83.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.621 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 34.5 mt-30 -71.15 -45.16 64.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.5 t80 -51.95 -21.75 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -65.64 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 66' ' ' GLN . 2.3 m -53.11 -41.09 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.621 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 0.3 OUTLIER -43.84 -53.6 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.589 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.834 ' O ' HG23 ' A' ' 75' ' ' VAL . 81.4 mt -48.39 -45.9 36.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -45.33 93.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 73' ' ' LEU . 4.8 mt -64.06 -40.06 95.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.871 ' CH2' HD11 ' A' ' 78' ' ' LEU . 9.2 t90 -68.13 -27.82 66.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 71' ' ' LEU . 47.2 t -72.66 -49.29 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -51.73 -23.65 4.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.6 m -87.1 -28.53 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.871 HD11 ' CH2' ' A' ' 74' ' ' TRP . 16.2 mt -57.29 123.78 16.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -53.35 179.67 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.08 -16.18 20.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -94.42 -39.78 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 1.2 m-20 -69.5 -55.09 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -43.26 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.78 -27.4 28.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -81.96 -55.25 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.523 ' CE1' HG13 ' A' ' 90' ' ' ILE . 1.8 t80 -43.55 -43.69 5.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -60.78 -38.15 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 2.6 pt-20 -47.04 -38.0 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.56 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -80.34 -22.99 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.523 HG13 ' CE1' ' A' ' 86' ' ' TYR . 1.8 mm -78.8 -44.02 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 t -86.33 47.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 40.6 p30 177.27 44.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.56 ' HD2' ' CE1' ' A' ' 89' ' ' TYR . 17.3 tttm -147.29 -62.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.98 -58.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 75.84 60.47 0.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.51 174.05 8.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.74 -144.98 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.45 174.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.5 m 66.42 118.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.5 97.55 3.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.019 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.7 86.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.87 -120.64 1.77 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.05 -57.15 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -106.44 -68.96 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.71 -70.37 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.443 1.089 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.76 23.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 173.77 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.15 116.46 66.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -163.07 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.9 ptp -150.01 -45.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' TYR . 66.7 m-80 -90.84 133.42 35.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -37.89 -29.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.148 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' ASN . 29.1 t80 -70.33 -64.4 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -41.15 -33.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -69.17 -60.17 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.115 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 13.8 t80 -54.28 -43.77 71.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 21' ' ' GLN . 7.1 p -54.39 -63.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' N ' ' OG ' ' A' ' 20' ' ' SER . 6.4 tm0? -43.49 -32.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.75 -43.01 97.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.115 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mt -71.16 -34.21 70.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.0 mt -72.03 -26.3 62.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 t -95.52 -22.83 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' GLU . 76.4 m-20 -74.29 -59.41 2.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.85 26.5 7.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.8 -23.19 55.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.506 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -126.32 38.84 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.6 p30 -91.07 15.35 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 45.1 p-80 -96.0 -24.58 16.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -110.6 171.02 4.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.91 34.38 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.605 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.75 -56.16 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . 16.2 tptt -36.12 -70.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.3 mt-10 -51.28 -51.83 50.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.43 -63.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.648 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.4 mmt -46.6 -69.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.525 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.7 p -46.55 -48.68 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HB3' HD13 ' A' ' 29' ' ' LEU . 3.2 tp10 -55.62 -37.67 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 38' ' ' MET . 15.9 mt -66.48 -59.74 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.55 -38.22 0.98 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -55.81 15.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.029 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -55.22 -36.11 65.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.762 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.6 t-105 -71.72 -31.98 67.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -77.76 -16.39 58.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -81.35 -53.47 6.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.762 HD11 ' CE3' ' A' ' 45' ' ' TRP . 22.2 pt -44.56 167.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.3 -168.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 51' ' ' SER . 5.9 tp-100 -62.76 -51.28 67.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 8.5 t -38.48 -67.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.437 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -45.8 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.574 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 11.3 mttp -38.85 -46.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.15 -55.38 35.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.456 ' NE2' HD11 ' A' ' 59' ' ' LEU . 63.8 t60 -51.78 -63.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -43.17 -51.58 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -53.95 -35.67 62.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -72.57 -36.04 68.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 47.4 mt -69.45 -41.87 75.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.36 -65.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 11.5 pt-20 -42.1 -45.32 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.495 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 5.9 tt0 -62.23 -53.96 47.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -44.25 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -69.92 -41.69 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.62 -48.63 66.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -69.28 -45.83 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 35.1 t80 -51.87 -62.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -47.28 -33.16 5.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.9 t -76.72 -56.44 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' LEU . 17.9 m170 -43.2 -55.62 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.568 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 75' ' ' VAL . 14.1 mt -41.75 -54.27 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.14 -43.12 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' HIS . 16.1 mt -63.61 -41.84 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.982 ' CH2' HD11 ' A' ' 78' ' ' LEU . 11.6 t90 -65.56 -30.41 71.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.002 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 71' ' ' LEU . 49.9 t -70.19 -38.23 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -64.61 -12.33 44.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.4 m -106.92 6.63 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.982 HD11 ' CH2' ' A' ' 74' ' ' TRP . 22.8 mt -88.89 143.0 27.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -66.21 178.79 0.56 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -75.0 -17.09 19.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -91.36 -48.16 7.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -59.5 -60.96 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -47.1 38.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.47 -54.66 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -63.09 -67.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.529 ' CE2' HD11 ' A' ' 90' ' ' ILE . 87.0 t80 -36.02 -50.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -55.47 -49.73 71.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.4 pt-20 -39.21 -38.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -83.46 -40.63 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.529 HD11 ' CE2' ' A' ' 86' ' ' TYR . 10.0 mm -51.0 -65.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 t -41.64 -42.24 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -93.04 55.6 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.9 -60.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -88.21 162.28 16.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -97.42 -62.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.6 m -156.03 169.79 23.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.65 -84.11 0.08 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.11 10.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.0 m -111.69 85.75 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.9 t -142.0 146.1 35.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.81 128.47 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 41.9 89.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.74 150.69 22.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p -149.37 110.39 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.71 92.95 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.52 -97.39 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.09 28.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -115.05 162.37 17.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 113.85 23.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HG3' ' CB ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 173.23 14.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.96 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 mmm -134.55 -70.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -82.49 167.61 18.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -62.52 -30.67 77.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -64.44 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -41.72 -30.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -71.99 -64.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.965 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 2.8 t80 -50.67 -46.83 58.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -53.0 -52.59 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.31 -32.66 11.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -63.32 -42.28 98.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.965 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.0 mt -72.23 -30.94 65.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.61 -26.9 61.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.4 t -95.54 -21.7 18.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 9.2 m120 -75.77 -61.08 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.22 23.79 8.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.45 -21.59 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.563 HD13 ' HB3' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -125.61 35.69 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.22 2.02 45.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 44.5 p-80 -81.41 -22.57 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -113.71 166.5 11.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.4 Cg_endo -75.04 157.56 42.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.643 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.3 tm? -38.78 -56.34 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -35.96 -70.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -50.2 -51.27 45.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 2.5 mtm180 -40.25 -67.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.3 mmt -39.8 -32.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 35' ' ' LYS . 1.7 t -77.16 -61.06 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.563 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.2 tp10 -48.04 -36.58 13.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.48 HG13 ' CD1' ' A' ' 29' ' ' LEU . 40.9 mt -66.45 -58.88 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.13 -44.64 7.63 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -52.58 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -58.1 -42.2 85.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 43.2 t-105 -66.52 -31.89 72.9 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.19 -9.03 59.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -87.92 -56.48 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.887 HD12 ' HB3' ' A' ' 52' ' ' GLN . 22.9 pt -44.65 167.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -170.34 1.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.2 tp-100 -59.56 -53.55 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' GLN . 14.7 t -36.71 -59.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.887 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -50.58 -71.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 21.0 mttt -39.13 -45.19 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.22 -59.52 5.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.705 ' NE2' HD11 ' A' ' 59' ' ' LEU . 70.1 t60 -44.85 -64.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 16.9 m-85 -48.69 -50.2 34.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 13.5 ttpp -57.19 -29.64 63.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -76.31 -38.88 55.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.705 HD11 ' NE2' ' A' ' 55' ' ' HIS . 82.9 mt -70.6 -44.66 66.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.16 -35.11 6.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -72.13 -34.46 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -69.47 -37.49 77.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -51.3 70.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.453 ' O ' ' CG ' ' A' ' 68' ' ' LYS . 30.7 mt-30 -65.13 -25.47 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.347 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -73.63 -44.28 57.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.606 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 62.9 mt-30 -68.59 -47.24 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.443 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . 4.9 t80 -56.97 -24.29 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 64' ' ' GLN . 29.7 mmtt -71.37 -63.01 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -57.57 -44.23 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.606 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -41.82 -55.4 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.606 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.1 mt -46.24 -49.65 16.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -43.29 78.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 73' ' ' LEU . 4.3 mt -65.62 -38.9 90.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.695 ' CH2' HD11 ' A' ' 78' ' ' LEU . 7.0 t90 -66.19 -29.16 69.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 71' ' ' LEU . 47.7 t -71.44 -39.11 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -63.67 -14.15 49.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -103.56 10.1 37.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.695 HD11 ' CH2' ' A' ' 74' ' ' TRP . 34.2 mt -95.22 139.92 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.557 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -63.56 -179.02 0.25 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 -15.9 20.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 39.4 tt0 -93.98 -51.03 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.78 -55.16 37.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.45 ' HG3' HG13 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -55.48 -41.28 72.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -50.31 -54.68 19.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -59.39 -66.32 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.592 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 87.5 t80 -37.63 -51.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -45.81 71.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 pt-20 -43.8 -39.03 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.453 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 22.0 t80 -81.47 -40.91 22.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.592 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 19.8 mm -49.46 -66.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.7 t -42.58 -42.35 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 80.2 m-20 -90.66 59.33 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' HD3' ' CE2' ' A' ' 89' ' ' TYR . 7.2 tttp -164.48 -60.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.4 169.35 18.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -86.11 138.17 32.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.5 p -120.39 159.21 25.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -109.0 147.96 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.434 1.084 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.49 2.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.84 156.96 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.8 t -152.59 104.67 2.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 p -159.66 143.45 14.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.34 158.02 35.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.054 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.07 152.88 5.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 75.37 -69.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.02 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -146.68 126.7 13.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.77 -75.13 1.29 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 154.33 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 115.29 33.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.469 ' CG ' ' HA ' ' A' ' 64' ' ' GLN . 18.3 Cg_endo -74.96 173.27 14.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.446 1.761 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -170.95 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.48 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -159.58 146.2 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 5.0 m-20 81.52 -65.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . 150.41 -34.93 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.489 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 10.2 t80 -60.74 -44.46 96.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -66.0 -26.06 67.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -67.26 -56.77 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.07 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 11.8 t80 -60.0 -40.61 89.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' LEU . 29.2 m -55.14 -59.32 4.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -42.67 -35.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -62.54 -43.45 98.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.07 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.0 mt -69.57 -26.45 64.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.28 -28.15 47.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -95.52 -20.62 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' GLU . 11.8 m120 -76.85 -60.52 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.2 28.28 6.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.83 -17.55 59.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 0.803 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.641 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -128.73 40.49 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.37 2.41 56.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 35.3 p-80 -83.7 -24.46 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.649 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -108.16 172.29 3.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.2 Cg_endo -74.97 153.39 41.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -43.03 -56.16 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' HG12 ' A' ' 39' ' ' VAL . 22.9 tptt -40.01 -39.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 4.2 mt-10 -77.82 -47.54 18.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -39.52 -63.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.231 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.721 ' HA ' HD12 ' A' ' 41' ' ' ILE . 9.6 mmt -46.88 -69.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.536 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.6 p -46.17 -49.15 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' A' ' 29' ' ' LEU . 5.1 tp10 -52.94 -40.3 63.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 38' ' ' MET . 13.0 mt -63.81 -60.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.49 -31.42 0.07 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.52 -54.05 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ILE . 3.4 mtp85 -55.86 -40.41 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.722 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.5 t-105 -62.29 -31.54 72.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 107.988 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -80.97 -7.33 59.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.4 mtp85 -93.4 -43.68 8.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.722 HD11 ' CE3' ' A' ' 45' ' ' TRP . 19.0 pt -50.53 -179.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m -118.32 179.68 4.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -52.52 -53.48 45.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.0 t -38.98 -46.27 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -66.96 -62.91 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.537 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 89.6 mttt -46.63 -45.03 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.6 -60.72 2.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.453 ' NE2' HD11 ' A' ' 59' ' ' LEU . 77.4 t60 -49.16 -63.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -49.75 -42.34 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' ASN . 2.2 ttpp -61.09 -45.79 93.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.36 -52.04 66.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.453 HD11 ' NE2' ' A' ' 55' ' ' HIS . 51.9 mt -49.11 -53.33 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.406 ' HB3' ' OE2' ' A' ' 61' ' ' GLU . . . -43.51 -40.86 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 61' ' ' GLU . 2.2 mm-40 -63.16 -42.01 99.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -71.65 -42.84 67.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -44.55 81.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.469 ' HA ' ' CG ' ' A' ' 11' ' ' PRO . 9.9 mt-30 -69.66 -41.14 75.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -45.96 52.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.0 -52.92 63.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.263 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CZ ' HD22 ' A' ' 71' ' ' LEU . 68.2 t80 -52.71 -60.33 3.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' TYR . 29.5 mmmt -40.28 -29.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.453 ' N ' ' C ' ' A' ' 67' ' ' TYR . 57.3 t -88.91 -65.03 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -39.89 -40.45 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.51 HD22 ' CZ ' ' A' ' 67' ' ' TYR . 13.3 tp -58.31 -52.54 65.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -59.79 -42.12 92.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.9 mt -59.43 -38.5 80.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.913 ' CH2' HD11 ' A' ' 78' ' ' LEU . 13.3 t90 -62.83 -27.49 69.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.463 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 94.2 t -81.03 -31.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -71.12 -4.59 26.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.9 t -114.61 -9.04 12.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.913 HD11 ' CH2' ' A' ' 74' ' ' TRP . 14.0 mt -74.01 128.97 36.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' ' 83' ' ' ARG . 0.3 OUTLIER -47.53 175.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 -9.23 20.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.544 1.813 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -94.06 -56.89 2.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.82 -59.3 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.504 ' CZ ' ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -48.54 -50.94 30.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' PRO . . . -44.28 -42.31 6.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -71.45 -64.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.911 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 50.6 t80 -37.71 -48.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.3 OUTLIER -55.43 -48.31 74.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.1 pt-20 -38.69 -39.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.454 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 8.2 t80 -82.0 -38.4 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 7.1 mm -55.17 -62.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t -45.67 -58.77 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -40.87 -53.78 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.454 ' HD3' ' CE1' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -83.58 -170.05 2.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 93' ' ' LYS . 3.2 mmp_? 47.11 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 mttt 61.06 149.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.9 m -176.01 96.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -155.66 174.27 33.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.462 1.769 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.66 144.02 33.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.9 p -120.03 161.21 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.432 1.082 . . . . 0.0 110.999 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.55 165.99 34.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 t -176.85 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.96 -175.25 30.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.1 p 176.79 -56.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -165.55 172.32 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.91 124.59 2.38 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.28 41.64 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 117.7 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 115.63 1.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.57 16.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.08 -166.06 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 mmm -126.5 -72.42 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -86.99 177.31 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.97 -33.34 74.53 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 22.8 t80 -62.24 -66.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -43.87 -29.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 7.2 tptt -70.11 -60.74 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.166 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 15.5 t80 -54.84 -45.74 74.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.4 m -52.07 -58.41 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -45.43 -34.64 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.44 -43.15 98.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.166 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.9 mt -69.59 -28.44 65.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.59 -28.01 56.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.19 -21.52 18.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' GLU . 11.6 m120 -76.35 -62.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.94 27.24 7.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -20.23 61.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 0.776 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -127.63 38.91 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -84.48 1.6 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 45.4 p-80 -79.43 -26.63 41.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.558 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -111.17 169.66 6.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 162.45 36.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.605 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.12 -55.81 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -36.1 -68.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -52.37 -52.32 54.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -38.73 -63.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.641 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.9 mmt -46.24 -68.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.9 p -47.46 -47.73 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.403 ' HB3' HD13 ' A' ' 29' ' ' LEU . 5.6 tp10 -56.72 -41.52 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 38' ' ' MET . 20.6 mt -59.7 -55.44 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.05 -38.42 2.56 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -52.66 54.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -56.84 -40.63 76.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.614 ' CE3' HD11 ' A' ' 48' ' ' ILE . 35.3 t-105 -69.58 -32.36 71.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.03 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.44 -13.58 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' ILE . 1.0 OUTLIER -84.24 -58.03 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.835 HD12 ' HB3' ' A' ' 52' ' ' GLN . 20.7 pt -43.06 164.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.36 -170.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.0 tp-100 -58.28 -56.5 21.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.1 t -33.16 -52.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.835 ' HB3' HD12 ' A' ' 48' ' ' ILE . 1.4 tp-100 -54.59 -57.67 10.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.561 ' HD2' ' CH2' ' A' ' 45' ' ' TRP . 6.8 mmtm -50.3 -43.38 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.77 -55.38 20.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.676 ' NE2' HD11 ' A' ' 59' ' ' LEU . 67.1 t60 -48.16 -67.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.52 ' HA ' HD12 ' A' ' 59' ' ' LEU . 11.8 m-85 -51.84 -59.17 4.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 53' ' ' LYS . 12.5 ttpt -46.45 -40.19 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.26 -57.75 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.676 HD11 ' NE2' ' A' ' 55' ' ' HIS . 12.3 mt -45.83 -48.35 15.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.41 -45.89 18.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.62 -32.36 70.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -75.72 -43.46 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -56.56 -43.25 79.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -74.13 -16.33 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -81.46 -37.13 28.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.622 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 27.7 mt-30 -76.97 -45.11 28.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -52.51 -19.96 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -71.8 -54.23 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 70' ' ' HIS . 1.3 m -66.72 -46.75 84.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.622 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 1.2 m-70 -40.01 -54.53 2.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 75' ' ' VAL . 20.6 mt -48.55 -49.64 35.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -44.98 86.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 73' ' ' LEU . 6.2 mt -64.33 -36.34 83.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.069 ' CH2' HD11 ' A' ' 78' ' ' LEU . 12.1 t90 -69.91 -28.19 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 107.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 71' ' ' LEU . 40.5 t -72.34 -50.01 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -49.07 -25.04 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -87.51 -36.6 17.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.069 HD11 ' CH2' ' A' ' 74' ' ' TRP . 19.7 mt -44.41 126.42 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -54.43 178.31 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.99 -15.61 20.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.562 1.822 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -93.3 -39.53 10.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -70.61 -54.76 10.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -40.17 69.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.03 -28.66 58.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -87.47 -61.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.984 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 44.4 t80 -37.86 -46.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -56.51 -48.57 76.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.3 pt-20 -39.6 -38.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.452 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 5.1 t80 -82.55 -38.0 24.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.984 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 4.9 mm -56.81 -59.35 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.2 t -42.73 -62.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -42.25 -54.42 3.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HD3' ' CE1' ' A' ' 89' ' ' TYR . 0.6 OUTLIER -86.56 -167.84 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.97 171.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -149.96 91.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -113.15 173.93 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -164.74 154.26 24.98 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 163.14 35.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.3 p 178.59 144.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.944 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.4 p -87.0 115.63 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.03 135.21 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -50.5 105.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.46 -76.55 0.94 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.37 -60.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -109.19 174.26 5.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.73 108.94 2.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.7 24.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' LYS . 11.3 mttt -99.19 113.7 26.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -40.07 105.28 0.36 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.46 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.21 18.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.4 ptm -138.69 35.89 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -173.85 138.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.86 -48.45 6.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.532 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 19.3 t80 -57.06 -62.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -48.75 -29.27 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 60' ' ' ALA . 6.0 tptt -73.25 -65.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.92 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 16.5 t80 -46.58 -45.73 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 23' ' ' LEU . 66.9 m -52.29 -59.32 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -43.58 -33.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -63.48 -42.87 98.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.92 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.9 mt -70.17 -26.85 64.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.7 mt -79.29 -27.42 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -95.49 -21.07 18.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' GLU . 10.5 m120 -75.96 -58.95 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.92 26.8 7.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -20.42 58.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.625 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -126.04 39.15 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -93.88 19.91 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -105.44 -19.9 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -115.48 170.35 5.73 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.81 38.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.59 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -48.3 -58.85 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.624 ' O ' HG12 ' A' ' 39' ' ' VAL . 17.0 tttt -38.62 -31.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' O ' HG13 ' A' ' 39' ' ' VAL . 1.5 mt-10 -89.5 -44.62 10.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' LEU . 57.3 mtt180 -47.27 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.644 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.1 mmt -45.18 -69.19 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 35' ' ' LYS . 2.7 p -41.81 -54.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.456 ' H ' HG13 ' A' ' 39' ' ' VAL . 9.4 tp10 -50.7 -40.77 54.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 38' ' ' MET . 30.5 mt -64.16 -60.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.86 -30.69 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.54 -51.92 15.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.006 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' ILE . 10.8 mtp180 -57.55 -40.5 79.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.79 ' CE3' HD11 ' A' ' 48' ' ' ILE . 45.0 t-105 -61.96 -30.55 71.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 107.985 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -77.47 -16.94 58.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' ILE . 43.9 mtp180 -80.03 -52.45 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.79 HD11 ' CE3' ' A' ' 45' ' ' TRP . 19.1 pt -44.34 167.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.7 m -111.13 173.21 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.4 tp-100 -44.7 -59.08 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' GLN . 9.2 t -38.39 -39.96 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' CB ' ' HB ' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -72.26 -72.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.556 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 30.5 mttt -39.47 -38.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.43 -54.97 18.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.729 ' CE1' HD21 ' A' ' 59' ' ' LEU . 50.3 t60 -50.0 -68.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.522 ' HA ' HD23 ' A' ' 59' ' ' LEU . 11.4 m-85 -44.32 -43.54 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.46 -29.56 50.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.772 ' HD2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.73 -44.19 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.772 HD22 ' HD2' ' A' ' 58' ' ' LYS . 2.4 mm? -49.18 -60.98 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -37.72 -45.4 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.05 -50.67 68.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -52.56 -58.81 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -47.21 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -66.99 -35.59 80.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -61.67 -39.45 91.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.4 ' O ' HG22 ' A' ' 69' ' ' VAL . 41.5 mt-30 -75.12 -45.22 42.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.507 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.1 t80 -55.43 -19.0 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -69.89 -54.44 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.41 ' H ' HG13 ' A' ' 69' ' ' VAL . 1.2 m -66.66 -43.42 90.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.4 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -46.11 -52.54 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.588 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 75' ' ' VAL . 6.7 tp -48.34 -39.5 22.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -37.68 65.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.28 -35.94 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.99 ' CH2' HD11 ' A' ' 78' ' ' LEU . 14.9 t90 -69.01 -29.14 67.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 71' ' ' LEU . 35.4 t -72.3 -48.61 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -51.55 -23.22 3.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -88.1 -32.45 18.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.928 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.99 HD11 ' CH2' ' A' ' 74' ' ' TRP . 34.0 mt -49.57 135.42 18.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -65.05 179.37 0.41 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.01 -13.55 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -94.04 -42.69 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.54 -57.76 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -35.58 30.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.93 -31.97 65.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -81.79 -61.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.551 ' CE1' HD11 ' A' ' 90' ' ' ILE . 4.1 t80 -39.74 -48.36 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -44.01 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 1.6 pt-20 -46.74 -36.14 6.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.496 ' CZ ' ' HG3' ' A' ' 93' ' ' LYS . 6.0 t80 -79.46 -34.53 41.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.551 HD11 ' CE1' ' A' ' 86' ' ' TYR . 4.4 mm -54.95 -58.41 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ILE . 4.1 t -38.85 -46.84 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 11.6 p30 -96.76 61.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -174.31 -63.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.56 166.29 16.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 142.49 30.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m -153.67 131.76 11.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 139.63 179.7 17.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 106.48 2.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.89 -59.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.1 t -105.71 160.23 15.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -162.54 -60.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -87.66 141.42 28.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.14 119.8 4.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.6 -60.19 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.8 m -144.96 171.97 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.58 -83.61 1.51 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 162.11 37.7 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.69 136.06 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 105.57 0.49 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.558 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.98 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.0 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.564 1.823 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.7 mmm -134.65 -65.34 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -92.04 173.47 7.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.53 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -66.62 -34.2 86.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.551 1.157 . . . . 0.0 111.069 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.535 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 22.4 t80 -60.23 -62.12 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -47.74 -30.27 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -69.93 -62.0 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.17 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 28.6 t80 -50.74 -43.93 58.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' LEU . 74.9 m -54.42 -61.57 2.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.89 -32.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -67.23 -43.97 80.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.17 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.1 mt -71.54 -29.15 64.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.1 mt -75.75 -27.61 58.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -95.38 -20.74 18.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 8.9 m120 -76.37 -60.36 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.32 29.35 6.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.89 -30.82 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.708 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -113.58 40.08 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.01 1.06 56.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 35.0 p-80 -82.13 -24.94 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -110.14 170.77 4.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.79 30.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.598 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -53.01 -56.1 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 39' ' ' VAL . 3.6 tptt -41.71 -28.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.8 mt-10 -90.1 -50.81 5.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -38.96 -64.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.8 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.5 mmt -46.28 -69.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.536 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.2 p -45.2 -49.18 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.57 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.7 tp10 -53.24 -43.34 67.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.364 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 38' ' ' MET . 15.7 mt -58.86 -59.95 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.77 -32.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -72.8 -53.8 10.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 110.032 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 41' ' ' ILE . 25.2 mtp180 -59.32 -30.72 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.559 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 46.0 t-105 -70.45 -33.06 70.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -82.06 -1.98 50.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' ILE . 38.2 mtp180 -90.75 -53.54 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.949 HD12 ' HB3' ' A' ' 52' ' ' GLN . 20.5 pt -47.94 174.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.0 m -106.69 -174.32 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.3 tp-100 -54.86 -51.75 64.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLN . 10.6 t -36.57 -65.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.949 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -46.14 -71.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.559 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 14.1 mttt -39.57 -44.87 1.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.48 -63.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.819 ' CE1' HD21 ' A' ' 59' ' ' LEU . 11.1 t60 -43.95 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.629 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 9.6 m-85 -47.24 -40.07 15.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -63.54 -25.16 68.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.533 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -84.75 -47.61 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.819 HD21 ' CE1' ' A' ' 55' ' ' HIS . 2.9 mm? -51.81 -53.01 44.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.66 -41.41 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.71 -42.63 95.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -65.91 -42.74 89.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -46.9 79.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -70.93 -23.16 62.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -73.03 -39.72 65.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.4 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 36.3 mt-30 -74.4 -45.55 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.558 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.1 t80 -53.39 -20.82 4.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 111.02 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -57.07 5.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.98 -40.84 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 0.5 OUTLIER -48.26 -42.78 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' HA ' HD12 ' A' ' 71' ' ' LEU . 6.4 tp -58.63 -40.03 82.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -39.05 70.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt -60.86 -35.38 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.046 ' CH2' HD11 ' A' ' 78' ' ' LEU . 14.5 t90 -71.7 -28.15 63.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 108.031 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 71' ' ' LEU . 30.4 t -74.7 -42.76 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -56.57 -18.97 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.6 m -95.95 -23.63 16.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.046 HD11 ' CH2' ' A' ' 74' ' ' TRP . 15.5 mt -57.51 125.67 23.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -54.76 178.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -14.89 20.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -94.09 -37.93 11.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.89 -54.71 9.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -38.74 66.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.85 -29.17 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -84.88 -60.9 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.487 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 4.5 t80 -38.43 -45.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -60.37 -47.67 85.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.7 pt-20 -39.75 -39.89 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 12.8 t80 -77.23 -39.29 49.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.487 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 16.5 mm -51.14 -66.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.32 -59.45 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -45.36 -48.96 13.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -55.2 36.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -42.8 -47.73 5.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -166.51 -74.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.8 p -149.3 158.1 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.959 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.82 88.78 0.09 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 170.81 19.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.36 112.85 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.6 t 44.53 81.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -125.65 -64.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m 61.97 93.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.35 -90.02 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.06 89.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 p 178.9 147.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.952 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.79 -119.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 150.95 38.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -119.8 136.45 54.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 100.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 173.45 14.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.463 ' CG ' ' HB2' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.0 151.92 40.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.2 ptm -143.22 64.58 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 171.3 -53.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.06 -41.56 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.513 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 12.2 t80 -68.39 -40.27 81.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -67.39 -25.09 65.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HB2' ' CG ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -67.86 -61.09 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.134 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 16.9 t80 -54.9 -39.45 68.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 m -58.26 -56.13 26.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -48.8 -32.28 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -65.93 -41.32 91.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.134 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.7 mt -72.1 -26.12 62.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.4 mt -78.39 -27.23 46.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.4 -20.91 18.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.957 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 10.5 m120 -76.28 -60.82 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.29 28.01 7.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.65 -23.52 58.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -124.1 39.19 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -86.34 1.77 49.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 39.6 p-80 -80.37 -23.14 40.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -114.49 169.36 6.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.04 30.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.613 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -45.69 -56.09 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -35.89 -68.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.515 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -52.52 -53.31 47.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' GLU . 1.1 mtm180 -37.8 -62.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.64 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.4 mmt -46.91 -68.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.515 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.7 p -47.4 -47.83 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.7 tp10 -55.79 -40.71 73.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 38' ' ' MET . 18.6 mt -61.68 -57.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -41.41 -39.93 2.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -51.15 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 0.757 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 14.1 mtp180 -59.01 -45.8 89.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.772 ' CE3' HD11 ' A' ' 48' ' ' ILE . 35.8 t-105 -59.11 -29.23 67.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.033 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -77.19 -12.95 60.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' CD ' ' HA ' ' A' ' 44' ' ' ARG . 0.4 OUTLIER -88.62 -52.08 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.772 HD11 ' CE3' ' A' ' 45' ' ' TRP . 15.0 pt -40.76 160.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.89 164.77 12.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -41.29 -55.04 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 t -39.19 -44.73 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.56 ' NE2' HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -61.32 -72.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.578 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 33.1 mttp -42.86 -38.92 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.12 -57.51 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.852 ' CE1' HD21 ' A' ' 59' ' ' LEU . 10.7 t60 -52.76 -66.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.586 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.573 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 10.3 m-85 -45.62 -33.13 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -69.98 -31.6 69.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -77.41 -44.11 30.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.852 HD21 ' CE1' ' A' ' 55' ' ' HIS . 2.7 mm? -51.99 -49.43 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.33 -41.85 9.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.05 -39.02 93.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.35 -42.47 54.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -60.39 -48.1 83.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -69.16 -19.91 64.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -75.85 -45.64 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.618 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 70.9 mt-30 -70.82 -45.55 64.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.518 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.4 t80 -52.23 -22.86 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -68.77 -58.89 3.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' H ' HG13 ' A' ' 69' ' ' VAL . 1.7 m -63.22 -40.77 90.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.618 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -46.34 -51.33 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.621 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.0 tp -50.06 -41.66 48.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.99 -38.9 79.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.526 HD22 ' HE3' ' A' ' 76' ' ' LYS . 8.1 mt -62.18 -40.8 97.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.97 ' CH2' HD11 ' A' ' 78' ' ' LEU . 20.6 t90 -67.35 -25.26 65.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' LEU . 34.3 t -78.41 -40.87 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.526 ' HE3' HD22 ' A' ' 73' ' ' LEU . 5.1 mtmt -56.9 -20.17 21.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -94.91 -29.48 14.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.97 HD11 ' CH2' ' A' ' 74' ' ' TRP . 14.2 mt -49.32 124.72 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -53.91 178.57 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -74.99 -15.85 20.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -93.14 -39.35 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -69.7 -56.4 7.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -40.3 62.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.97 -25.58 30.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -90.83 -60.67 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.929 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 3.0 t80 -39.59 -45.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -58.47 -46.18 87.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.6 pt-20 -41.34 -38.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 7.9 t80 -80.05 -35.86 36.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.929 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 6.2 mm -52.41 -64.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.6 t -42.67 -55.33 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -52.55 -50.27 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -84.27 -169.66 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 39.1 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.92 112.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 m -52.53 160.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -145.19 -174.25 17.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 179.09 6.41 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.29 167.17 31.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 m -100.15 170.29 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 t -88.33 86.56 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.01 112.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.55 161.43 21.29 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -169.33 -59.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.972 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -76.14 151.56 36.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.37 -80.55 1.47 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.28 35.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.62 123.95 51.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 109.87 0.64 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.465 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.94 170.06 21.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.12 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -151.14 154.79 37.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 61.24 -81.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . . . 168.96 -30.5 0.16 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -67.52 -38.71 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -65.43 -29.54 70.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -65.49 -63.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.17 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 23.5 t80 -53.58 -43.7 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' LEU . 56.5 m -54.86 -62.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -42.67 -33.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -65.76 -44.6 85.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.17 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mt -69.6 -27.08 64.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 mt -78.68 -27.51 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 t -95.36 -20.28 19.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' GLU . 12.2 m120 -77.73 -62.23 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.03 27.28 6.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.64 -16.83 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -127.68 39.37 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.58 -1.12 57.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 38.6 p-80 -78.82 -24.56 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -110.26 170.54 5.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.2 Cg_endo -75.05 151.28 39.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.769 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.533 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -40.8 -56.28 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.5 tptt -38.89 -41.45 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.2 mt-10 -76.89 -48.85 17.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HD2' HD22 ' A' ' 34' ' ' LEU . 2.9 mtt180 -38.18 -62.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.754 ' HA ' HD12 ' A' ' 41' ' ' ILE . 8.7 mmt -46.96 -69.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.536 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.4 p -46.75 -48.16 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -54.26 -43.49 71.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.7 mt -58.07 -59.44 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.23 -32.92 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -72.27 -52.99 13.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' ILE . 18.8 mtp180 -60.54 -30.95 70.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.566 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 43.8 t-105 -70.02 -33.06 71.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.05 -1.75 55.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -89.78 -51.0 5.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.03 HD12 ' HB3' ' A' ' 52' ' ' GLN . 21.7 pt -50.74 179.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.2 m -113.1 -174.9 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.5 tp-100 -55.24 -50.24 69.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.7 t -37.19 -58.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 1.03 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -53.28 -72.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.566 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 18.0 mttp -39.83 -41.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -60.56 -54.89 39.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.832 ' NE2' HD11 ' A' ' 59' ' ' LEU . 48.3 t60 -59.38 -66.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 7.8 m-85 -43.3 -25.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' O ' ' OE2' ' A' ' 61' ' ' GLU . 18.3 ttpt -88.55 -47.65 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.61 -29.81 70.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.832 HD11 ' NE2' ' A' ' 55' ' ' HIS . 47.9 mt -73.54 -44.96 56.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.69 -37.52 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 61' ' ' GLU . 5.5 mm-40 -66.68 -35.05 79.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.43 1.081 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -71.65 -39.56 70.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -45.99 87.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -72.43 -16.3 61.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -81.38 -38.02 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.44 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 72.3 mt-30 -78.86 -43.82 24.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.535 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -54.5 -19.88 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -70.31 -53.93 14.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -67.71 -41.37 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 1.1 m-70 -48.16 -45.29 33.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.596 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.9 tp -56.16 -40.03 73.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -40.4 67.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.3 -37.53 77.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.059 ' CH2' HD11 ' A' ' 78' ' ' LEU . 19.4 t90 -67.74 -31.78 71.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 71' ' ' LEU . 49.8 t -72.7 -45.53 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -55.16 -19.58 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.79 -24.46 16.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.059 HD11 ' CH2' ' A' ' 74' ' ' TRP . 14.1 mt -56.8 126.22 25.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -52.05 179.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -74.98 -17.56 19.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.449 1.763 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 6.5 tt0 -92.01 -50.93 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -56.22 -56.18 24.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.366 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.41 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.11 -40.77 67.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -52.43 -27.47 16.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.44 -48.29 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.569 ' CE1' HG13 ' A' ' 90' ' ' ILE . 20.6 t80 -53.92 -59.41 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -40.06 75.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.28 -33.25 41.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -87.8 -28.31 21.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.6 mm -63.56 -65.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 t -42.14 -38.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -94.48 59.62 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -159.62 -59.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -78.05 -53.07 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.3 tttm 62.44 94.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.09 173.45 11.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -112.8 97.36 0.88 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.69 6.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m 69.4 115.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 63.1 p -179.34 102.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -166.22 -59.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -169.73 164.9 10.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.89 147.34 8.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t 61.85 110.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 0.769 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 p 171.1 122.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.033 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.37 -93.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 147.26 33.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -117.69 133.55 55.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.65 107.35 0.77 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -177.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -155.28 139.32 16.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 13' ' ' MET . 4.6 m-20 82.58 -62.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.56 -33.54 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -66.25 -39.49 89.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -67.07 -25.0 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -60.63 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.191 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 19.6 t80 -58.42 -41.67 85.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LEU . 23.0 m -54.64 -62.68 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -43.32 -35.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -62.58 -43.91 97.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.191 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.98 -22.97 63.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -81.03 -28.75 35.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.23 -19.9 19.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' GLU . 12.3 m120 -77.56 -61.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.62 26.64 7.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.46 -18.94 61.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -126.79 37.05 4.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -87.31 -1.68 58.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 40.2 p-80 -77.05 -25.15 52.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.616 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -110.21 170.42 5.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 18.4 Cg_endo -74.97 156.95 43.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -44.29 -56.37 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' HG12 ' A' ' 39' ' ' VAL . 9.5 tptt -40.14 -34.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.523 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.4 mm-40 -83.83 -49.95 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' GLU . 4.3 mtt180 -38.07 -63.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.728 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.7 mmt -46.29 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.523 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.4 p -46.01 -48.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.6 tp10 -54.56 -41.26 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 38' ' ' MET . 18.8 mt -61.53 -60.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.7 -32.08 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.16 -54.25 8.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.036 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ILE . 24.6 mtp180 -57.29 -36.43 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 44.4 t-105 -66.35 -33.12 75.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -84.15 -5.4 59.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -87.66 -51.42 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.993 HD12 ' HB3' ' A' ' 52' ' ' GLN . 16.3 pt -48.73 175.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.48 -171.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.5 tp-100 -59.73 -51.81 68.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' GLN . 28.4 t -37.06 -57.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.993 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -53.09 -72.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 110.346 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 47.1 mttt -40.23 -39.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.19 -61.23 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.871 ' CE1' HD11 ' A' ' 59' ' ' LEU . 6.9 t-80 -50.87 -68.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 8.1 m-85 -41.59 -27.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' HIS . 3.6 ttpp -83.85 -45.25 13.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.476 ' C ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -63.52 -40.99 98.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.871 HD11 ' CE1' ' A' ' 55' ' ' HIS . 77.9 mt -59.93 -46.63 88.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.502 ' HB3' ' OE2' ' A' ' 61' ' ' GLU . . . -49.83 -43.41 48.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.502 ' OE2' ' HB3' ' A' ' 60' ' ' ALA . 2.1 mm-40 -61.61 -36.81 81.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -44.65 63.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -40.0 77.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -78.44 -14.98 59.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -81.37 -37.12 28.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.553 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 25.5 mt-30 -78.84 -42.67 26.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.3 t80 -53.74 -22.08 8.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -69.17 -52.13 31.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.1 m -69.95 -40.97 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 1.4 m-70 -48.6 -38.89 22.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.6 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.2 tp -63.88 -38.92 92.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -47.95 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.1 mt -54.45 -34.7 61.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.824 ' CH2' HD11 ' A' ' 78' ' ' LEU . 19.2 t90 -69.42 -34.92 75.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 107.985 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 71' ' ' LEU . 42.1 t -68.97 -35.23 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -67.04 -15.22 63.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -101.8 7.63 41.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.824 HD11 ' CH2' ' A' ' 74' ' ' TRP . 25.4 mt -91.88 147.62 22.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.544 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -73.12 -179.82 0.96 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -15.36 20.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.424 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 7.7 tt0 -93.63 -52.52 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -55.47 -56.57 18.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -45.86 71.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -44.32 -51.04 8.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -65.61 -61.92 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 90' ' ' ILE . 88.4 t80 -42.36 -50.43 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -36.84 69.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -52.57 -35.83 54.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -84.02 -38.81 20.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 86' ' ' TYR . 7.7 mm -51.29 -64.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 92' ' ' ASN . 48.2 t -49.1 -56.36 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 91' ' ' SER . 1.3 m-80 -40.02 -55.58 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -57.98 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -57.14 165.87 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -109.9 -64.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -154.58 169.23 24.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 137.2 84.74 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -116.76 170.33 8.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.0 -58.43 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.041 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -142.67 69.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -127.9 167.27 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.967 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.13 145.64 9.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -160.25 107.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m 173.19 158.09 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.78 -86.48 0.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.602 ' HG3' HD12 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -75.05 138.98 23.61 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' CE2' ' A' ' 67' ' ' TYR . 6.7 mttt -53.92 -176.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -133.96 78.82 58.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.8 13.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.3 mmm -127.8 -59.19 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -98.06 -177.54 3.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.04 -34.7 61.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.485 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 17.4 t80 -61.1 -64.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -46.97 -30.16 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -68.78 -60.84 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.087 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 10.6 t80 -54.86 -44.43 73.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' LEU . 38.8 m -55.39 -56.92 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -44.53 -34.54 2.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -64.34 -43.77 93.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.087 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.3 -24.78 63.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.2 mt -80.6 -27.55 37.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.58 -20.66 18.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' GLU . 13.8 m120 -77.56 -62.43 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.56 26.58 7.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.2 -17.62 61.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -128.23 37.22 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.99 0.45 48.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 43.4 p-80 -78.97 -21.49 47.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -116.02 169.51 6.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 161.77 38.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.612 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.24 -56.09 3.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 34' ' ' LEU . 13.7 tptt -36.08 -66.09 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -54.39 -53.32 55.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -37.95 -62.07 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.644 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.7 mmt -47.35 -68.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.513 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.7 p -47.54 -47.5 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.89 -37.81 69.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.7 mt -66.11 -55.51 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.36 -32.84 1.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -53.97 11.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -54.86 -43.7 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.739 ' CE3' HD11 ' A' ' 48' ' ' ILE . 37.0 t-105 -63.14 -27.5 69.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -81.97 -7.01 59.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' ILE . 13.6 mtp-105 -93.29 -46.31 7.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.739 HD11 ' CE3' ' A' ' 45' ' ' TRP . 26.3 pt -49.04 177.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.97 -174.82 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . 34.2 tp60 -55.92 -53.86 51.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -38.74 -46.3 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -66.08 -59.62 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 13.6 mttt -49.54 -44.18 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -60.38 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 59' ' ' LEU . 76.9 t60 -48.53 -65.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.414 ' HA ' HD12 ' A' ' 59' ' ' LEU . 21.2 m-85 -46.85 -53.8 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -51.99 -43.74 63.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -61.56 -55.1 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD11 ' NE2' ' A' ' 55' ' ' HIS . 51.4 mt -44.14 -53.37 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.02 -48.6 6.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -55.81 -40.07 72.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' LEU . 8.3 tp10 -69.73 -36.04 75.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.15 -50.16 72.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -68.23 -31.5 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.46 -44.17 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.534 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 36.9 mt-30 -73.78 -44.79 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.6 t80 -55.02 -24.89 26.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -62.76 -54.04 45.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASP . 1.0 OUTLIER -67.47 -41.99 86.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 2.0 m-70 -47.78 -38.02 14.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.559 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.602 HD12 ' HG3' ' A' ' 8' ' ' PRO . 12.7 tp -60.97 -35.77 77.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -76.95 -39.05 52.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mt -61.65 -31.42 71.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.999 ' CH2' HD11 ' A' ' 78' ' ' LEU . 13.9 t90 -71.71 -32.45 67.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 108.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.43 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 25.5 t -67.97 -50.1 62.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -51.43 -22.59 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.35 -31.55 20.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.961 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.999 HD11 ' CH2' ' A' ' 74' ' ' TRP . 44.1 mt -51.08 141.15 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -67.73 179.39 0.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.02 -14.69 21.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -94.17 -41.96 9.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -68.72 -56.04 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -40.74 64.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.74 -27.12 38.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -88.66 -61.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CE1' HG13 ' A' ' 90' ' ' ILE . 4.2 t80 -38.88 -47.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -61.11 -44.93 96.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -42.42 -37.4 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.513 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 4.7 t80 -82.09 -33.31 29.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.573 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.4 mm -59.54 -65.33 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 t -41.63 -56.98 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.958 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -48.25 -50.49 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.513 ' HD3' ' CE1' ' A' ' 89' ' ' TYR . 1.3 mptm? -86.25 -168.3 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? 40.02 88.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.43 120.38 23.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 t -159.12 171.83 19.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -110.05 -172.84 20.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -179.06 4.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.9 t -161.14 178.38 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m 56.53 168.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.35 100.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.996 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.4 m -73.77 137.76 44.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.61 85.29 0.51 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -159.38 99.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.0 97.88 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.96 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.67 -98.1 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.79 10.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 158.71 15.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 112.89 11.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.59 16.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 179.18 6.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.7 mmm -121.37 -58.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -100.06 178.9 4.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.36 -42.82 48.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.536 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 25.4 t80 -59.09 -51.27 70.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -55.05 -29.57 57.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -69.47 -68.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.154 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 26.5 t80 -45.74 -42.24 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.8 m -54.75 -49.65 70.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -54.88 -33.9 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -64.54 -42.62 95.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.154 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -71.16 -30.49 66.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -74.27 -27.03 60.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.64 -21.08 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 9.7 m120 -76.32 -60.75 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.46 ' O ' ' ND2' ' A' ' 30' ' ' ASN . . . 103.24 25.6 7.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.8 mt-10 -77.98 -9.7 59.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -134.77 39.41 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 27' ' ' GLY . 12.9 p30 -89.31 4.53 48.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -85.19 -28.65 25.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.547 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD12 ' HG2' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -111.36 162.37 21.25 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 162.11 37.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.487 1.783 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.622 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.1 tm? -45.8 -57.89 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 10.6 tptm -39.48 -29.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' LEU . 7.4 mm-40 -94.36 -43.68 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.511 ' HG2' HD12 ' A' ' 32' ' ' LEU . 91.4 mtt180 -49.13 -54.31 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.572 ' HG3' HD11 ' A' ' 34' ' ' LEU . 2.9 mmt -54.89 -16.42 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 1.6 t -91.02 -58.73 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.24 -37.73 37.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.474 HG13 ' CD1' ' A' ' 29' ' ' LEU . 40.7 mt -62.65 -59.18 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.8 -33.99 0.46 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -55.63 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -55.46 -36.94 67.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.778 ' CE3' HD11 ' A' ' 48' ' ' ILE . 47.7 t-105 -66.02 -32.98 74.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.86 -13.47 60.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' ILE . 23.4 mtp85 -82.68 -59.41 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.778 HD11 ' CE3' ' A' ' 45' ' ' TRP . 15.4 pt -40.53 160.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 m -93.92 -175.53 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' SER . 5.6 tp-100 -56.94 -54.66 44.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' GLN . 28.4 t -37.78 -64.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -46.47 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.625 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 4.1 mttm -41.62 -39.85 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.62 -56.0 16.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.86 ' CE1' HD11 ' A' ' 59' ' ' LEU . 22.0 t-80 -53.15 -68.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.485 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 7.1 m-85 -38.47 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' HIS . 11.9 ttmt -83.15 -48.73 10.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -59.12 -33.73 71.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.86 HD11 ' CE1' ' A' ' 55' ' ' HIS . 79.2 mt -67.01 -45.23 78.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' HB3' ' OE2' ' A' ' 61' ' ' GLU . . . -48.8 -32.32 8.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' A' ' 57' ' ' LYS . 4.7 mm-40 -72.79 -33.43 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -77.18 -44.36 30.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -40.86 60.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -75.85 -21.12 57.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.24 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -77.67 -39.11 46.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.426 ' O ' HG22 ' A' ' 69' ' ' VAL . 72.9 mm-40 -76.4 -44.94 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.517 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.8 t80 -49.38 -25.17 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -51.53 50.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -69.15 -40.72 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -50.08 -38.65 39.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.55 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 tp -64.26 -35.81 82.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -35.28 54.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.06 -34.01 77.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.049 ' CH2' HD11 ' A' ' 78' ' ' LEU . 9.5 t90 -69.8 -28.49 65.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.54 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 19.3 t -72.55 -40.84 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -57.06 -21.17 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 -28.48 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.972 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.049 HD11 ' CH2' ' A' ' 74' ' ' TRP . 18.8 mt -52.09 124.96 14.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -53.77 178.39 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 -14.33 21.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.38 -41.38 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.36 -55.82 8.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -37.21 53.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.23 64.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -82.55 -63.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.616 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 4.7 t80 -38.43 -46.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -59.42 -47.18 86.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.0 pt-20 -40.8 -39.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.424 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 9.1 t80 -78.47 -36.99 44.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.616 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 9.4 mm -55.19 -65.37 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 t -49.77 -56.96 8.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -40.68 -56.61 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -59.2 5.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -39.71 -59.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -110.11 109.38 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.0 p -104.53 95.77 6.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.42 96.85 2.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 117.57 4.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.27 -58.63 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 t -84.69 162.59 19.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.019 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.95 135.53 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 110.043 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -174.14 114.57 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.47 154.71 9.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.24 112.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 0.782 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 t -178.98 145.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.6 -88.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.64 38.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -113.29 117.23 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.42 102.18 0.26 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.1 Cg_endo -75.04 -175.81 2.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.02 -64.26 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 16' ' ' TYR . 2.3 p30 -109.4 147.0 33.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 57' ' ' LYS . . . -40.4 -28.74 0.2 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.572 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 12.4 t80 -61.05 -64.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -51.88 -28.32 15.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 2.8 tttt -66.64 -61.32 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.011 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 4.5 t80 -57.87 -47.78 81.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.6 m -43.35 -49.54 6.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -32.26 34.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.1 tt0 -61.52 -50.97 70.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.011 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 5.0 mt -58.4 -17.06 17.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD21 HD11 ' A' ' 41' ' ' ILE . 30.3 mt -92.07 -19.6 22.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.41 -31.71 12.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -83.34 -9.46 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.95 13.2 59.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.49 -37.64 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -135.4 41.83 2.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -90.23 18.83 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 31.0 p-80 -101.07 -17.79 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.585 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -117.39 169.99 6.72 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.5 Cg_endo -75.0 155.93 42.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' ARG . 4.9 tp -44.8 -54.88 5.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -41.31 -29.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.6 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.9 mt-10 -95.11 -36.02 11.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' LEU . 67.0 mtt180 -57.31 -69.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.536 ' HA ' HD12 ' A' ' 41' ' ' ILE . 19.9 mmt -40.56 -65.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.607 HG13 ' H ' ' A' ' 40' ' ' GLU . 2.4 p -43.06 -59.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.607 ' H ' HG13 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -54.3 -41.92 69.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 HD21 ' A' ' 24' ' ' LEU . 53.4 mt -58.08 -54.34 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.76 -39.56 1.91 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.431 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -61.8 -44.3 97.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -61.62 -52.83 62.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' A' ' 16' ' ' TYR . 45.4 t-105 -56.66 -31.03 64.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -79.1 -21.37 46.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.337 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 48' ' ' ILE . 8.3 mtt180 -79.5 -52.78 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.849 HG21 ' OE1' ' A' ' 52' ' ' GLN . 9.8 pt -45.92 170.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.65 -167.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 51' ' ' SER . 6.2 tp-100 -71.06 -51.35 25.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' GLN . 48.1 t -38.2 -54.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.849 ' OE1' HG21 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -56.71 -71.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 15.9 mttt -39.37 -43.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.34 -50.04 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' GLN . 75.5 t60 -57.34 -62.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 17.5 m-85 -50.17 -58.27 5.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' N ' ' HA3' ' A' ' 15' ' ' GLY . 25.3 ttpt -46.78 -42.89 17.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.99 -56.83 13.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' GLU . 63.3 mt -44.91 -55.4 5.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.16 -47.05 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.11 -42.93 91.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -60.64 -39.98 90.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -54.81 40.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -62.55 -20.29 64.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -75.47 -42.39 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.599 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 76.2 mt-30 -74.3 -44.67 51.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.52 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.4 t80 -52.87 -22.08 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -57.49 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.5 m -64.31 -40.23 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.599 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 0.5 OUTLIER -47.67 -48.74 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.583 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.9 tp -52.64 -41.66 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -42.16 69.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.49 -37.89 79.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.042 ' CH2' HD11 ' A' ' 78' ' ' LEU . 18.5 t90 -70.05 -29.86 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 71' ' ' LEU . 29.5 t -72.02 -49.1 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -51.51 -22.05 2.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 m -89.91 -32.06 17.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.042 HD11 ' CH2' ' A' ' 74' ' ' TRP . 26.0 mt -48.98 131.6 18.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.515 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.94 178.66 0.21 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.949 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.02 -14.83 20.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -93.41 -41.92 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -68.69 -57.54 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -40.28 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.93 -28.51 51.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -86.96 -60.12 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.553 ' CE1' HG13 ' A' ' 90' ' ' ILE . 3.4 t80 -41.24 -47.69 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -40.24 89.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -48.37 -38.21 18.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -79.92 -32.34 40.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.553 HG13 ' CE1' ' A' ' 86' ' ' TYR . 8.0 mm -58.72 -65.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -40.03 -38.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -97.22 65.59 2.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -165.52 -63.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -72.32 -59.37 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.08 176.21 5.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.53 78.39 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -58.96 119.27 17.16 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -178.17 3.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.9 p -150.3 161.37 42.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.991 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.4 p -163.95 145.02 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -174.39 115.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -178.98 151.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.87 148.12 5.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -165.8 109.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 0.802 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.71 157.41 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.05 -89.75 0.7 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.29 35.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -113.88 142.42 46.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.67 108.63 1.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.553 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.02 168.77 24.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.49 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 mmm -120.98 -42.85 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -124.34 168.98 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.534 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -61.26 -25.77 65.16 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.123 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.554 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 10.9 t80 -68.48 -67.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -49.02 -27.62 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -64.6 -56.56 13.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.015 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 8.1 t80 -66.58 -47.46 72.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' LEU . 20.0 m -43.6 -57.54 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -44.59 -28.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -67.16 -43.78 81.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.015 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 6.6 mt -71.51 -12.31 61.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.426 HD21 HD11 ' A' ' 41' ' ' ILE . 11.6 mt -93.86 -26.54 16.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.81 -20.14 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 15.8 m120 -77.6 -61.08 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.37 26.5 6.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -21.42 60.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -123.96 39.67 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.449 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -88.85 10.84 19.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -93.3 -16.97 24.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -120.2 166.21 15.85 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.25 41.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' C ' HD13 ' A' ' 34' ' ' LEU . 3.1 tm? -43.8 -61.97 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 34' ' ' LEU . 8.3 tptt -35.29 -35.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.531 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.7 mt-10 -87.42 -47.13 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' LEU . 91.4 mtt180 -43.39 -59.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.848 ' HA ' HD12 ' A' ' 41' ' ' ILE . 88.9 mmm -49.7 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.531 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.9 p -42.98 -48.1 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.11 -42.6 77.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 38' ' ' MET . 13.9 mt -58.39 -53.86 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.76 -37.23 1.26 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -45.12 87.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -63.89 -52.0 61.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 36.6 t-105 -58.46 -28.4 65.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -84.22 -18.18 37.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' ILE . 65.4 mtt-85 -78.05 -55.12 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.954 HD12 ' HB3' ' A' ' 52' ' ' GLN . 24.1 pt -47.48 173.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -107.46 -174.41 2.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' SER . 16.1 tp60 -54.15 -51.85 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.8 t -36.41 -64.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.954 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -46.61 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 81.1 mttt -39.82 -53.53 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.73 -45.37 70.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.444 ' NE2' HD11 ' A' ' 59' ' ' LEU . 58.2 t60 -60.56 -59.63 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 21.2 m-85 -54.0 -63.29 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.433 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 10.4 ptmt -43.42 -40.85 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.23 -59.85 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' GLU . 63.3 mt -41.25 -57.49 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -38.94 -52.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.11 -45.44 64.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -72.76 -34.97 67.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.46 ' CG ' ' HB3' ' A' ' 11' ' ' PRO . 1.8 tt0 -61.87 -41.96 98.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -76.48 -22.83 54.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -67.66 -40.97 84.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.441 ' O ' HG22 ' A' ' 69' ' ' VAL . 39.3 mt-30 -74.1 -44.79 52.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.553 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 2.2 t80 -48.92 -28.46 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -65.34 -59.63 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.5 m -63.35 -41.64 93.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -48.31 -42.41 31.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.583 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 71' ' ' LEU . 8.7 tp -59.14 -42.34 90.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -67.28 -48.01 68.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 73' ' ' LEU . 6.9 mt -52.8 -29.37 27.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.985 ' CH2' HD11 ' A' ' 78' ' ' LEU . 33.7 t90 -76.11 -30.22 58.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 71' ' ' LEU . 86.0 t -78.1 -33.82 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -68.95 -7.59 36.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -111.42 -11.19 14.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.985 HD11 ' CH2' ' A' ' 74' ' ' TRP . 12.3 mt -71.42 126.7 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -47.2 174.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.934 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.01 -7.77 19.45 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -94.65 -55.49 3.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -56.36 22.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.511 ' CZ ' ' O ' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -50.12 -47.2 54.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 88' ' ' GLU . . . -53.53 -34.87 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.2 -51.3 9.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 58.4 t80 -58.53 -57.68 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -31.25 68.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' CB ' ' O ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -61.33 -33.54 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.402 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 5.4 t80 -86.08 -34.14 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.545 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 2.2 mm -59.03 -52.77 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 t -44.76 -56.58 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 22.2 p30 -82.61 52.86 2.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -157.23 -166.98 2.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 93' ' ' LYS . 5.9 mtp85 48.59 -177.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -104.06 134.93 46.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.8 p -51.94 172.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.959 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.46 131.78 3.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.15 4.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.87 150.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.954 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.0 p -163.21 -57.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.93 94.04 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.21 164.57 30.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.95 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.45 63.21 0.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t 70.57 78.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -101.48 70.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.77 -141.38 1.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -174.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.98 26.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.0 103.28 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.621 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -75.05 173.82 13.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.36 2.33 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.6 ptp -146.41 147.88 31.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 m120 74.83 -60.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.14 -23.58 2.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.113 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.509 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 9.0 t80 -65.87 -41.16 91.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -65.83 -30.02 70.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.162 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -58.45 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.162 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 20.0 t80 -56.57 -39.72 73.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' LEU . 24.1 m -57.13 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.23 -31.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -66.39 -42.8 87.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.162 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mt -70.85 -30.88 67.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.49 -27.21 60.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -95.4 -22.27 17.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 22' ' ' GLU . 9.7 m120 -75.14 -60.33 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.08 29.71 6.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.08 -17.85 56.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.546 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -126.01 39.28 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.63 10.91 21.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.546 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 31.4 p-80 -92.11 -21.51 20.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.638 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.537 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -115.22 168.64 7.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.05 155.71 42.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.605 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -40.41 -56.38 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -35.91 -55.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.547 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -67.34 -49.15 65.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' GLU . 61.5 mtt180 -38.64 -61.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.676 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.2 mmt -48.49 -69.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.547 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.2 p -46.48 -48.7 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.48 -41.84 63.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 38' ' ' MET . 17.3 mt -62.03 -61.87 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.93 -31.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.11 -54.82 7.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' ILE . 15.5 mtp85 -55.57 -36.19 66.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.558 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 41.7 t-105 -65.34 -31.84 73.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.001 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -2.58 58.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.5 mtp85 -91.62 -50.91 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.983 HD12 ' HB3' ' A' ' 52' ' ' GLN . 22.7 pt -49.49 177.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.33 -173.84 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' SER . 20.5 tp60 -56.68 -49.82 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLN . 7.1 t -37.53 -62.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.983 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -48.68 -71.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 52.7 mttt -40.07 -45.81 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.22 -56.26 23.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.648 ' CE1' HD21 ' A' ' 59' ' ' LEU . 17.6 t60 -54.42 -65.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 12.3 m-85 -50.58 -26.11 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 9.6 ttpt -75.89 -24.05 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -87.31 -42.07 13.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.648 HD21 ' CE1' ' A' ' 55' ' ' HIS . 3.3 mm? -54.17 -57.29 11.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -40.1 -46.12 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 4.2 mt-10 -57.85 -47.68 81.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -63.91 -39.18 93.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -63.11 -48.24 79.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -67.58 -23.61 65.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -71.13 -43.99 66.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.47 ' HB3' ' CE1' ' A' ' 70' ' ' HIS . 32.2 mt-30 -71.69 -44.54 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.621 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 4.2 t80 -53.97 -24.97 18.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -51.14 65.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -71.55 -40.4 71.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.47 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -48.83 -45.27 40.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.6 tp -57.69 -40.37 79.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.65 -39.05 64.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.78 -38.88 92.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.081 ' CH2' HD11 ' A' ' 78' ' ' LEU . 13.1 t90 -66.85 -31.93 72.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 71' ' ' LEU . 24.9 t -67.36 -50.17 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -49.34 -24.29 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.52 -33.92 21.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.081 HD11 ' CH2' ' A' ' 74' ' ' TRP . 15.4 mt -50.06 122.69 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -51.0 178.62 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.957 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 -16.18 20.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -92.09 -41.47 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.83 -57.87 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -35.73 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.17 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.06 -50.75 7.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.54 ' CE1' HG13 ' A' ' 90' ' ' ILE . 22.8 t80 -55.15 -59.74 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -35.38 70.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -33.23 67.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.455 ' CZ ' ' HG3' ' A' ' 93' ' ' LYS . 0.8 OUTLIER -88.07 -28.2 21.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.54 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.4 mm -61.91 -66.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.5 t -40.46 -43.73 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -92.17 59.13 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' HG3' ' CZ ' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -157.67 -58.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -66.17 133.45 50.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.4 tttm 44.49 88.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.4 t -64.47 95.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -150.51 172.77 30.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.5 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 75.08 -58.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.952 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.6 t -144.21 100.4 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 151.15 39.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -115.81 131.32 56.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.81 101.53 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.499 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.95 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -174.15 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.76 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 mmm -124.11 -63.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -89.63 -65.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.76 -30.07 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 9.6 t80 -62.28 -32.44 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -72.02 -23.89 61.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -68.79 -58.46 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.075 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 14.6 t80 -54.03 -40.91 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LEU . 39.6 m -60.73 -59.57 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -42.16 -34.55 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -65.79 -45.24 83.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.075 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.9 mt -69.46 -19.58 63.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.41 -27.44 22.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -95.64 -21.06 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 86.1 m-20 -76.54 -60.64 2.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.49 28.88 6.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -29.95 62.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.773 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.928 HD22 ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -116.23 40.02 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -87.2 7.37 28.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.504 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 44.3 p-80 -88.02 -22.06 24.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.636 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -114.0 169.16 6.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.0 158.73 42.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -40.22 -55.22 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' LEU . 8.7 tptm -36.99 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.531 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.3 mt-10 -51.28 -50.37 59.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -41.52 -62.05 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.629 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.7 mmt -48.14 -68.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.531 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 4.0 p -46.08 -49.21 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.928 ' OE2' HD22 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -54.98 -40.84 70.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.9 mt -62.5 -63.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.51 -36.2 0.4 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -56.31 7.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -52.04 -38.75 58.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.577 ' CH2' ' HA ' ' A' ' 53' ' ' LYS . 27.2 t-105 -66.25 -30.83 71.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -79.5 -1.81 39.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -96.16 -51.32 4.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.765 HD12 ' HB3' ' A' ' 52' ' ' GLN . 20.6 pt -46.76 171.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.45 173.6 6.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -48.2 -50.53 28.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.0 t -38.87 -66.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.765 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -41.57 -72.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 45.2 mttp -40.99 -50.11 3.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.48 -49.71 69.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.464 ' NE2' HD11 ' A' ' 59' ' ' LEU . 74.2 t60 -56.19 -59.36 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.54 -33.44 60.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -69.14 -40.37 78.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.6 -46.02 77.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.464 HD11 ' NE2' ' A' ' 55' ' ' HIS . 50.5 mt -56.8 -48.79 77.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.34 -39.12 6.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.22 -39.5 89.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -74.65 -43.31 55.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -49.51 76.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -67.13 -21.89 65.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -76.61 -45.29 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.401 ' O ' HG22 ' A' ' 69' ' ' VAL . 34.6 mt-30 -69.52 -46.4 66.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -50.94 -25.0 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -57.34 7.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' H ' HG13 ' A' ' 69' ' ' VAL . 1.4 m -66.32 -41.01 88.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -48.36 -42.38 31.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.591 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.5 tp -58.45 -38.5 77.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.19 -41.29 61.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.7 -34.24 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.039 ' CH2' HD11 ' A' ' 78' ' ' LEU . 21.0 t90 -72.72 -27.84 62.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.024 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.484 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 23.3 t -74.57 -45.57 44.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -52.65 -21.98 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 m -91.42 -33.64 15.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.039 HD11 ' CH2' ' A' ' 74' ' ' TRP . 17.4 mt -46.09 124.97 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -52.5 178.8 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -14.92 20.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -94.15 -40.91 9.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -70.25 -53.44 16.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -37.81 64.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.31 -29.96 67.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -83.58 -61.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.583 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 5.0 t80 -40.24 -46.21 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -60.0 -44.13 94.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.3 pt-20 -42.81 -37.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.421 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 4.3 t80 -81.13 -32.88 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.583 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 6.0 mm . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 127.49 10.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 159.64 14.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 112.23 7.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.09 168.7 24.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -164.99 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.793 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.8 mtm -153.24 160.57 42.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 57' ' ' LYS . 68.3 m-20 61.54 -80.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 13' ' ' MET . . . 162.77 -27.22 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.3 -44.01 76.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -57.2 -30.01 64.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -65.97 -60.82 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.131 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 27.9 t80 -55.81 -44.57 77.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.6 m -54.25 -59.51 4.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -45.41 -34.03 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -64.77 -44.18 90.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.131 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mt -70.15 -19.32 63.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -86.46 -27.4 24.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.66 -21.83 17.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 88.5 m-20 -75.78 -60.54 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.03 28.53 6.49 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.35 -18.38 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -125.86 40.03 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -91.22 8.7 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -91.79 -8.16 47.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -129.93 166.92 22.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.06 40.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.585 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.1 tm? -45.7 -58.45 3.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' LEU . 47.8 tptt -38.28 -31.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.563 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.0 mt-10 -92.32 -45.85 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -43.22 -61.37 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 110.341 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.819 ' HA ' HD12 ' A' ' 41' ' ' ILE . 3.9 mmt -49.17 -69.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.563 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.8 p -42.21 -50.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 4.1 tp10 -52.05 -43.78 63.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.819 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.8 mt -58.94 -59.68 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.62 -31.85 0.09 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.41 -55.02 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.953 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -56.51 -41.54 76.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.901 ' CE3' HD11 ' A' ' 48' ' ' ILE . 44.6 t-105 -66.06 -31.7 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -76.58 -10.92 59.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -89.07 -52.38 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.901 HD11 ' CE3' ' A' ' 45' ' ' TRP . 16.9 pt -41.99 162.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.51 -172.24 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' SER . 11.7 tp60 -59.01 -52.15 67.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLN . 40.9 t -38.36 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' HIS . 1.3 mp0 -42.53 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 16.6 mttp -39.22 -50.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -46.99 79.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' GLN . 77.7 t60 -58.02 -61.59 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.91 -33.98 65.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 14' ' ' ASN . 5.8 ttpt -69.04 -42.56 76.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.47 -46.1 81.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 78.6 mt -57.9 -44.49 86.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.65 -73.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 19.4 pt-20 -41.43 -40.4 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 2.4 tt0 -63.66 -50.1 70.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -43.81 44.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -71.85 -19.39 61.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' GLU . 13.0 ttt180 -83.51 -35.14 25.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 19.2 mt-30 -84.49 -42.43 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.7 t80 -50.81 -20.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.86 -59.13 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.9 m -58.02 -40.48 76.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 23.8 m170 -42.54 -50.01 5.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 75' ' ' VAL . 65.9 mt -52.33 -48.95 65.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.3 -45.05 80.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 73' ' ' LEU . 4.7 mt -65.72 -42.0 91.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.973 ' CH2' HD11 ' A' ' 78' ' ' LEU . 8.0 t90 -63.59 -30.91 71.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 71' ' ' LEU . 49.5 t -69.35 -51.19 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.45 -23.6 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.3 t -88.21 -32.58 18.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.973 HD11 ' CH2' ' A' ' 74' ' ' TRP . 15.2 mt -50.04 124.64 10.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -49.88 179.41 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 -15.66 20.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -94.22 -52.05 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.23 -53.42 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.71 -44.15 85.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.03 40.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.79 -55.42 5.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.547 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 72.3 t80 -49.67 -60.83 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -44.74 76.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -31.98 4.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -89.84 -37.95 14.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.547 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 2.5 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.67 10.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.73 143.0 27.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -57.07 109.55 1.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.01 173.58 14.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.449 1.763 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.425 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -74.99 166.11 29.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.415 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -116.59 -18.42 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.415 ' N ' ' HG3' ' A' ' 13' ' ' MET . 6.5 p30 -139.58 149.44 43.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.16 -43.51 7.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.418 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 20.8 t80 -53.18 -68.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' NE2' ' HG2' ' A' ' 13' ' ' MET . 10.6 mt-30 -42.86 -37.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 2.4 tptt -65.18 -58.3 6.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.974 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 2.3 t80 -55.17 -42.72 73.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.2 m -57.47 -57.46 12.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.17 -32.97 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -63.8 -43.29 96.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.974 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.6 mt -71.11 -27.4 63.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.95 -27.92 57.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.44 -22.6 17.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 82.8 m-20 -75.72 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.89 28.21 6.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.35 -17.97 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.681 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -126.7 37.6 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -2.78 51.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 44.8 p-80 -75.05 -16.66 60.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -122.57 168.33 12.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 160.52 39.84 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.602 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -40.88 -56.3 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LEU . 7.4 tptm -35.76 -68.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.4 mt-10 -52.48 -52.6 53.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -38.51 -62.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.597 ' HA ' HD12 ' A' ' 41' ' ' ILE . 8.9 mmt -46.78 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.514 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.9 p -47.39 -47.18 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -58.06 -39.79 79.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 38' ' ' MET . 23.9 mt -61.2 -55.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.74 3.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -52.9 47.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -55.96 -38.53 70.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.676 ' CE3' HD11 ' A' ' 48' ' ' ILE . 45.6 t-105 -66.52 -33.04 74.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -81.14 -9.42 59.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -90.75 -42.45 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.676 HD11 ' CE3' ' A' ' 45' ' ' TRP . 14.7 pt -51.44 -177.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.21 -179.53 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -54.14 -53.43 53.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.6 t -39.09 -49.1 1.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -63.97 -65.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 17.8 mttp -44.05 -48.37 8.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.64 -61.89 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.459 ' NE2' HD11 ' A' ' 59' ' ' LEU . 75.6 t60 -46.96 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -45.53 -44.99 13.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -58.0 -36.68 73.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -70.27 -50.75 36.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.459 HD11 ' NE2' ' A' ' 55' ' ' HIS . 48.3 mt -49.03 -52.72 23.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -39.99 -48.13 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.42 -49.5 67.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -50.51 -57.31 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.17 -43.27 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -71.05 -36.77 72.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 ttt85 -58.41 -44.88 89.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.02 -45.9 55.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 11.8 t80 -48.07 -49.54 31.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -25.46 61.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -87.17 -47.99 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -42.94 -48.45 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.613 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 74' ' ' TRP . 73.1 mt -45.37 -65.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.72 -45.83 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.94 -41.93 98.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.09 ' CH2' HD11 ' A' ' 78' ' ' LEU . 7.4 t90 -66.19 -34.77 78.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' LEU . 50.3 t -63.46 -52.9 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -50.2 -23.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.92 -31.2 20.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.09 HD11 ' CH2' ' A' ' 74' ' ' TRP . 22.8 mt -52.81 132.07 36.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.92 178.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -74.93 -15.87 20.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -94.24 -42.48 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -66.0 -59.02 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -48.36 50.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.93 -29.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 82' ' ' ASP . . . -83.76 -48.48 10.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 23.5 t80 -55.57 -60.17 3.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -39.1 71.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.01 -38.09 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -80.51 -33.89 36.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.52 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 2.3 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HG2' HD12 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.99 130.7 13.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.89 157.51 18.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 114.78 38.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.417 ' CB ' ' HB3' ' A' ' 63' ' ' GLN . 18.3 Cg_endo -75.01 173.84 13.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -168.22 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 15' ' ' GLY . 6.4 mtm -157.48 159.22 37.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 2.7 m-20 66.53 -73.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . 159.13 -31.03 0.44 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.545 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 6.7 t80 -64.85 -45.78 84.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -62.35 -25.84 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -67.99 -61.1 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.093 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 10.7 t80 -54.05 -44.46 71.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 23' ' ' LEU . 60.6 m -50.83 -58.17 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -43.42 -35.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -61.42 -43.82 98.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.093 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.2 mt -69.15 -29.71 67.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.46 -27.92 59.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.367 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -19.86 19.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' GLU . 79.4 m-20 -78.11 -60.23 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.78 25.32 8.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.85 -17.61 60.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.495 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -123.67 40.05 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -89.16 9.31 26.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 50.7 p-80 -87.9 -21.04 25.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -123.12 165.54 21.85 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.3 Cg_endo -75.04 160.08 40.45 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 37' ' ' ARG . 4.6 tp -45.33 -56.94 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 5.3 tptm -39.86 -29.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 34' ' ' LEU . 4.4 mm-40 -94.94 -39.19 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' LEU . 82.7 mtt180 -53.86 -53.28 54.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.441 ' HA ' HD12 ' A' ' 41' ' ' ILE . 37.8 mmm -55.82 -15.23 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 1.6 t -91.06 -57.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.31 -40.45 59.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.258 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.503 HG23 ' CD1' ' A' ' 23' ' ' LEU . 30.4 mt -57.52 -59.92 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.62 -36.08 0.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -70.33 -53.26 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -55.59 -43.57 76.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.724 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.1 t-105 -61.32 -30.38 70.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 107.965 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -82.83 -6.76 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' ILE . 27.5 mtp180 -95.57 -42.11 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.724 HD11 ' CE3' ' A' ' 45' ' ' TRP . 19.7 pt -50.12 179.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -115.67 176.72 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -51.23 -52.68 42.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.6 t -39.84 -46.1 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -66.66 -63.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.581 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 35.4 mttt -46.86 -49.58 19.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.04 -60.9 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.418 ' NE2' HD11 ' A' ' 59' ' ' LEU . 78.7 t60 -47.74 -64.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.57 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -48.93 -41.1 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 14' ' ' ASN . 5.6 ttpt -62.51 -52.35 63.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.13 -48.57 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.444 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 87.2 mt -53.55 -56.53 16.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.52 -44.81 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.79 -47.48 77.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -57.45 -60.18 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -42.41 -39.7 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -75.2 -37.49 61.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' GLU . 6.2 ttt180 -55.06 -55.6 29.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.423 ' N ' ' HG2' ' A' ' 65' ' ' ARG . 3.4 mp0 -62.3 -47.61 83.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -46.27 -50.89 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -30.8 61.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 66' ' ' GLN . 15.8 t -82.82 -58.06 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -47.35 -50.72 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.508 HD12 ' HG2' ' A' ' 8' ' ' PRO . 12.7 tp -47.95 -43.28 29.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -43.24 80.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.94 -32.56 72.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.075 ' CH2' HD11 ' A' ' 78' ' ' LEU . 19.5 t90 -70.75 -29.55 65.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 71' ' ' LEU . 44.2 t -72.87 -47.87 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -53.19 -20.78 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.75 -27.86 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.075 HD11 ' CH2' ' A' ' 74' ' ' TRP . 13.0 mt -54.07 125.01 17.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.529 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -50.95 179.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.976 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.05 -17.02 19.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -94.12 -47.41 6.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.2 -52.68 64.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.429 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -58.61 -40.34 82.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.11 -33.47 26.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.78 -51.95 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CE1' HG13 ' A' ' 90' ' ' ILE . 22.7 t80 -52.16 -59.91 3.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -40.27 74.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -33.22 53.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.255 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -87.38 -28.96 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.559 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.5 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.581 ' HG3' HD23 ' A' ' 71' ' ' LEU . 18.3 Cg_endo -75.0 147.09 33.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 147.44 45.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 107.67 0.9 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -74.99 165.84 30.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.63 2.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.435 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 7.1 mtp -156.12 148.45 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 13' ' ' MET . 8.4 m-80 74.77 -58.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 141.2 -43.23 1.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -57.19 -43.82 83.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -60.17 -30.79 69.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -61.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.038 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 3.4 t80 -50.99 -42.08 60.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 m -57.94 -56.48 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -47.15 -33.37 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.76 -43.08 97.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.038 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.9 -26.01 63.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.0 mt -79.82 -27.36 40.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.37 -20.92 18.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' GLU . 82.4 m-20 -76.64 -61.1 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.376 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' ND2' ' A' ' 30' ' ' ASN . . . 103.65 25.63 7.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.9 -18.64 60.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.79 40.47 3.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 27' ' ' GLY . 8.2 p30 -87.45 -2.35 58.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 40.3 p-80 -77.54 -26.72 51.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -108.16 166.79 10.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.99 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.582 HD13 ' C ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -46.95 -59.06 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 34' ' ' LEU . 14.5 tttm -33.75 -70.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.601 ' HB3' HD22 ' A' ' 32' ' ' LEU . 8.1 mt-10 -52.14 -52.64 50.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -38.52 -62.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.463 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.1 mmt -47.31 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.524 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.5 p -46.99 -47.54 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.57 -34.24 72.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 38' ' ' MET . 23.3 mt -69.69 -54.36 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.7 -38.91 7.85 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -54.33 33.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -55.16 -38.45 68.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.842 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.2 t-105 -63.76 -29.26 70.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 107.988 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -81.07 -1.8 45.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 48' ' ' ILE . 37.2 mtp85 -94.0 -51.98 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.842 HD11 ' CE3' ' A' ' 45' ' ' TRP . 18.9 pt -42.94 164.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.0 p -106.95 164.91 11.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' SER . 18.8 tp60 -39.07 -58.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' GLN . 9.1 t -38.57 -44.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' CB ' ' HB ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -65.39 -72.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.58 ' HG2' ' CH2' ' A' ' 45' ' ' TRP . 46.7 mttp -38.89 -43.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -56.92 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.468 ' NE2' HD11 ' A' ' 59' ' ' LEU . 77.7 t60 -47.92 -64.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -48.61 -57.77 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 14' ' ' ASN . 4.1 ttpp -47.54 -46.15 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -59.05 -56.6 20.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.468 HD11 ' NE2' ' A' ' 55' ' ' HIS . 47.4 mt -44.48 -56.93 3.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.2 -46.78 2.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -58.32 -45.87 87.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.1 tt0 -66.07 -42.38 89.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -50.95 66.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.09 -33.0 74.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -67.66 -44.54 77.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.497 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 33.7 mt-30 -69.08 -46.68 67.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 2.0 t80 -50.4 -22.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -72.83 -68.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 66' ' ' GLN . 3.1 m -49.45 -41.03 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.087 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 19.7 m170 -43.29 -56.69 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.596 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 75' ' ' VAL . 67.7 mt -46.08 -48.41 17.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -46.82 81.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 73' ' ' LEU . 5.8 mt -62.9 -43.66 98.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.364 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.098 ' CH2' HD11 ' A' ' 78' ' ' LEU . 8.6 t90 -64.73 -34.12 77.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.007 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 71' ' ' LEU . 40.7 t -64.13 -51.4 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -48.25 -25.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 75' ' ' VAL . 23.3 t -84.75 -36.1 21.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.098 HD11 ' CH2' ' A' ' 74' ' ' TRP . 20.0 mt -47.4 126.34 9.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.508 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -55.34 178.21 0.11 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.08 -14.08 21.06 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -94.13 -40.29 10.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.0 -57.38 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -38.15 49.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.48 -30.52 41.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -84.89 -61.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.512 ' CE1' HG13 ' A' ' 90' ' ' ILE . 21.4 t80 -37.51 -50.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -57.41 -47.29 82.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.4 pt-20 -38.89 -43.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.421 ' N ' ' CG ' ' A' ' 88' ' ' GLU . 6.5 t80 -76.53 -38.75 54.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 86' ' ' TYR . 13.8 mm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.01 27.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 144.53 39.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 109.59 1.86 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.567 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.96 172.86 15.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 164.1 34.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -103.94 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -88.38 174.27 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.55 -31.49 76.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -62.46 -67.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -42.66 -29.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -70.65 -62.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.068 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 8.8 t80 -52.52 -44.6 65.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -57.41 -46.76 83.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -53.08 -35.07 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -64.18 -43.42 95.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.068 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.8 mt -69.62 -25.12 63.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.3 mt -81.55 -27.76 34.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 t -95.15 -20.33 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' GLU . 79.6 m-20 -76.79 -60.28 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.47 24.19 8.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.58 -23.82 62.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -125.48 40.15 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -89.4 2.13 54.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -84.44 -13.97 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.61 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -123.6 167.97 13.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.59 42.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' ARG . 5.1 tp -46.03 -56.2 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.475 ' O ' HG12 ' A' ' 39' ' ' VAL . 12.5 tptm -41.1 -29.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.527 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.5 mt-10 -93.76 -36.45 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' LEU . 73.1 mtt180 -56.74 -60.03 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.492 ' HA ' HD12 ' A' ' 41' ' ' ILE . 53.9 mmm -49.11 -67.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.603 HG13 ' H ' ' A' ' 40' ' ' GLU . 2.3 p -39.41 -60.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.603 ' H ' HG13 ' A' ' 39' ' ' VAL . 6.1 tp10 -49.42 -45.42 46.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 38' ' ' MET . 37.1 mt -57.45 -58.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.46 -29.92 0.27 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -56.17 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -51.55 -38.07 52.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.777 ' CE3' HD11 ' A' ' 48' ' ' ILE . 45.5 t-105 -69.08 -32.38 71.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -78.06 -2.32 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 10.6 mtp-105 -97.63 -51.56 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.777 HD11 ' CE3' ' A' ' 45' ' ' TRP . 23.9 pt -45.58 169.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.7 -179.19 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -51.47 -51.44 55.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -38.4 -68.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.526 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -43.93 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 42.1 mttp -38.55 -48.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.54 -52.11 66.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.63 ' NE2' HD11 ' A' ' 59' ' ' LEU . 69.8 t60 -54.64 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.483 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 14.2 m-85 -48.25 -53.85 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 9.5 ttpt -55.81 -31.08 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -73.6 -40.4 63.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.63 HD11 ' NE2' ' A' ' 55' ' ' HIS . 97.8 mt -69.47 -42.09 75.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.46 -34.18 23.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 1.4 mt-10 -73.02 -39.21 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -39.84 87.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -46.77 82.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -68.69 -31.43 70.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -67.37 -42.64 83.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.529 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 34.5 mt-30 -71.15 -45.16 64.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.5 t80 -51.95 -21.75 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -65.64 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 66' ' ' GLN . 2.3 m -53.11 -41.09 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 20.6 m170 -43.84 -53.6 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.589 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.834 ' O ' HG23 ' A' ' 75' ' ' VAL . 81.4 mt -48.39 -45.9 36.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -45.33 93.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 73' ' ' LEU . 4.8 mt -64.06 -40.06 95.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.871 ' CH2' HD11 ' A' ' 78' ' ' LEU . 9.2 t90 -68.13 -27.82 66.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 71' ' ' LEU . 47.2 t -72.66 -49.29 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -51.73 -23.65 4.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.6 m -87.1 -28.53 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.871 HD11 ' CH2' ' A' ' 74' ' ' TRP . 16.2 mt -57.29 123.78 16.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -53.35 179.67 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.08 -16.18 20.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -94.42 -39.78 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 1.2 m-20 -69.5 -55.09 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -43.26 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.78 -27.4 28.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -81.96 -55.25 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.523 ' CE1' HG13 ' A' ' 90' ' ' ILE . 1.8 t80 -43.55 -43.69 5.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -60.78 -38.15 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.6 pt-20 -47.04 -38.0 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.436 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -80.34 -22.99 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.523 HG13 ' CE1' ' A' ' 86' ' ' TYR . 1.8 mm . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.76 23.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 173.77 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.15 116.46 66.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -163.07 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.44 ' CG ' ' NE2' ' A' ' 17' ' ' GLN . 2.9 ptp -150.01 -45.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' TYR . 66.7 m-80 -90.84 133.42 35.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -37.89 -29.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.148 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' ASN . 29.1 t80 -70.33 -64.4 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' NE2' ' CG ' ' A' ' 13' ' ' MET . 21.1 mt-30 -41.15 -33.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -69.17 -60.17 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.115 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 13.8 t80 -54.28 -43.77 71.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 21' ' ' GLN . 7.1 p -54.39 -63.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' N ' ' OG ' ' A' ' 20' ' ' SER . 6.4 tm0? -43.49 -32.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.75 -43.01 97.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.115 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mt -71.16 -34.21 70.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.0 mt -72.03 -26.3 62.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 t -95.52 -22.83 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' GLU . 76.4 m-20 -74.29 -59.41 2.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.85 26.5 7.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.8 -23.19 55.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.506 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -126.32 38.84 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.6 p30 -91.07 15.35 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 45.1 p-80 -96.0 -24.58 16.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -110.6 171.02 4.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.91 34.38 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.75 -56.16 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . 16.2 tptt -36.12 -70.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.3 mt-10 -51.28 -51.83 50.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.43 -63.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.648 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.4 mmt -46.6 -69.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.525 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.7 p -46.55 -48.68 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HB3' HD13 ' A' ' 29' ' ' LEU . 3.2 tp10 -55.62 -37.67 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 38' ' ' MET . 15.9 mt -66.48 -59.74 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.55 -38.22 0.98 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -55.81 15.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.029 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -55.22 -36.11 65.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.762 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.6 t-105 -71.72 -31.98 67.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -77.76 -16.39 58.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -81.35 -53.47 6.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.762 HD11 ' CE3' ' A' ' 45' ' ' TRP . 22.2 pt -44.56 167.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.3 -168.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 51' ' ' SER . 12.3 tp60 -62.76 -51.28 67.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 8.5 t -38.48 -67.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.437 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -45.8 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.574 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 11.3 mttp -38.85 -46.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.15 -55.38 35.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.456 ' NE2' HD11 ' A' ' 59' ' ' LEU . 63.8 t60 -51.78 -63.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -43.17 -51.58 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -53.95 -35.67 62.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -72.57 -36.04 68.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 47.4 mt -69.45 -41.87 75.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.36 -65.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 11.5 pt-20 -42.1 -45.32 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.495 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 5.9 tt0 -62.23 -53.96 47.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -44.25 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 13' ' ' MET . 39.7 mt-30 -69.92 -41.69 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.62 -48.63 66.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -69.28 -45.83 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 35.1 t80 -51.87 -62.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -47.28 -33.16 5.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.9 t -76.72 -56.44 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' LEU . 17.9 m170 -43.2 -55.62 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.568 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 75' ' ' VAL . 14.1 mt -41.75 -54.27 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.14 -43.12 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' HIS . 16.1 mt -63.61 -41.84 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.982 ' CH2' HD11 ' A' ' 78' ' ' LEU . 11.6 t90 -65.56 -30.41 71.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.002 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 71' ' ' LEU . 49.9 t -70.19 -38.23 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -64.61 -12.33 44.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.4 m -106.92 6.63 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.982 HD11 ' CH2' ' A' ' 74' ' ' TRP . 22.8 mt -88.89 143.0 27.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -66.21 178.79 0.56 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -75.0 -17.09 19.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -91.36 -48.16 7.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -59.5 -60.96 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -47.1 38.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.47 -54.66 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -63.09 -67.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.529 ' CE2' HD11 ' A' ' 90' ' ' ILE . 87.0 t80 -36.02 -50.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -55.47 -49.73 71.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.4 pt-20 -39.21 -38.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -83.46 -40.63 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.529 HD11 ' CE2' ' A' ' 86' ' ' TYR . 10.0 mm . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.09 28.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -115.05 162.37 17.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 113.85 23.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HG3' ' CB ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 173.23 14.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.96 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 mmm -134.55 -70.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -82.49 167.61 18.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.414 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -62.52 -30.67 77.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -64.44 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -41.72 -30.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -71.99 -64.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.965 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 2.8 t80 -50.67 -46.83 58.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -53.0 -52.59 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.31 -32.66 11.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -63.32 -42.28 98.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.965 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.0 mt -72.23 -30.94 65.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.61 -26.9 61.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.4 t -95.54 -21.7 18.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 77.1 m-20 -75.77 -61.08 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.22 23.79 8.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.45 -21.59 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.563 HD13 ' HB3' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -125.61 35.69 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.22 2.02 45.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 44.5 p-80 -81.41 -22.57 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -113.71 166.5 11.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.4 Cg_endo -75.04 157.56 42.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.643 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.3 tm? -38.78 -56.34 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -35.96 -70.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -50.2 -51.27 45.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 2.5 mtm180 -40.25 -67.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.3 mmt -39.8 -32.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 35' ' ' LYS . 1.7 t -77.16 -61.06 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.563 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.2 tp10 -48.04 -36.58 13.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.48 HG13 ' CD1' ' A' ' 29' ' ' LEU . 40.9 mt -66.45 -58.88 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.13 -44.64 7.63 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -52.58 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -58.1 -42.2 85.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 43.2 t-105 -66.52 -31.89 72.9 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.19 -9.03 59.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -87.92 -56.48 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.887 HD12 ' HB3' ' A' ' 52' ' ' GLN . 22.9 pt -44.65 167.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -170.34 1.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' SER . 15.0 tp60 -59.56 -53.55 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' GLN . 14.7 t -36.71 -59.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.887 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -50.58 -71.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 21.0 mttt -39.13 -45.19 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.22 -59.52 5.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.705 ' NE2' HD11 ' A' ' 59' ' ' LEU . 70.1 t60 -44.85 -64.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 16.9 m-85 -48.69 -50.2 34.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 13.5 ttpp -57.19 -29.64 63.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -76.31 -38.88 55.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.705 HD11 ' NE2' ' A' ' 55' ' ' HIS . 82.9 mt -70.6 -44.66 66.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.16 -35.11 6.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -72.13 -34.46 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -69.47 -37.49 77.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -51.3 70.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.453 ' O ' ' CG ' ' A' ' 68' ' ' LYS . 30.7 mt-30 -65.13 -25.47 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.347 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -73.63 -44.28 57.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.603 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 32.3 mt-30 -68.59 -47.24 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.443 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . 4.9 t80 -56.97 -24.29 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 64' ' ' GLN . 29.7 mmtt -71.37 -63.01 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -57.57 -44.23 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 20.8 m170 -41.82 -55.4 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.606 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.1 mt -46.24 -49.65 16.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -43.29 78.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 73' ' ' LEU . 4.3 mt -65.62 -38.9 90.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.695 ' CH2' HD11 ' A' ' 78' ' ' LEU . 7.0 t90 -66.19 -29.16 69.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 71' ' ' LEU . 47.7 t -71.44 -39.11 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -63.67 -14.15 49.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -103.56 10.1 37.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.695 HD11 ' CH2' ' A' ' 74' ' ' TRP . 34.2 mt -95.22 139.92 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.557 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -63.56 -179.02 0.25 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 -15.9 20.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 39.4 tt0 -93.98 -51.03 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.78 -55.16 37.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.45 ' HG3' HG13 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -55.48 -41.28 72.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -50.31 -54.68 19.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -59.39 -66.32 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.592 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 87.5 t80 -37.63 -51.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -45.81 71.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 pt-20 -43.8 -39.03 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -81.47 -40.91 22.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.592 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 19.8 mm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 154.33 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 115.29 33.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.469 ' CG ' ' HA ' ' A' ' 64' ' ' GLN . 18.3 Cg_endo -74.96 173.27 14.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.446 1.761 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -170.95 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.48 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -159.58 146.2 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 5.0 m-20 81.52 -65.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . 150.41 -34.93 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.489 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 10.2 t80 -60.74 -44.46 96.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -66.0 -26.06 67.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -67.26 -56.77 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.07 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 11.8 t80 -60.0 -40.61 89.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' LEU . 29.2 m -55.14 -59.32 4.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -42.67 -35.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -62.54 -43.45 98.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.07 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.0 mt -69.57 -26.45 64.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.28 -28.15 47.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -95.52 -20.62 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 81.8 m-20 -76.85 -60.52 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.2 28.28 6.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.83 -17.55 59.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 0.803 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.641 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -128.73 40.49 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.37 2.41 56.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 35.3 p-80 -83.7 -24.46 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.649 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -108.16 172.29 3.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.2 Cg_endo -74.97 153.39 41.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -43.03 -56.16 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' HG12 ' A' ' 39' ' ' VAL . 22.9 tptt -40.01 -39.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 4.2 mt-10 -77.82 -47.54 18.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -39.52 -63.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.231 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.721 ' HA ' HD12 ' A' ' 41' ' ' ILE . 9.6 mmt -46.88 -69.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.536 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.6 p -46.17 -49.15 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' A' ' 29' ' ' LEU . 5.1 tp10 -52.94 -40.3 63.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 38' ' ' MET . 13.0 mt -63.81 -60.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.49 -31.42 0.07 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.52 -54.05 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ILE . 3.4 mtp85 -55.86 -40.41 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.722 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.5 t-105 -62.29 -31.54 72.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 107.988 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -80.97 -7.33 59.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.4 mtp85 -93.4 -43.68 8.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.722 HD11 ' CE3' ' A' ' 45' ' ' TRP . 19.0 pt -50.53 -179.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m -118.32 179.68 4.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -52.52 -53.48 45.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.0 t -38.98 -46.27 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -66.96 -62.91 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.537 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 89.6 mttt -46.63 -45.03 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.6 -60.72 2.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.453 ' NE2' HD11 ' A' ' 59' ' ' LEU . 77.4 t60 -49.16 -63.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -49.75 -42.34 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' ASN . 2.2 ttpp -61.09 -45.79 93.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.36 -52.04 66.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.453 HD11 ' NE2' ' A' ' 55' ' ' HIS . 51.9 mt -49.11 -53.33 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' A' ' 64' ' ' GLN . . . -43.51 -40.86 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 61' ' ' GLU . 2.2 mm-40 -63.16 -42.01 99.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -71.65 -42.84 67.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -44.55 81.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.469 ' HA ' ' CG ' ' A' ' 11' ' ' PRO . 25.0 mt-30 -69.66 -41.14 75.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -45.96 52.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.0 -52.92 63.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.263 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CZ ' HD22 ' A' ' 71' ' ' LEU . 68.2 t80 -52.71 -60.33 3.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' TYR . 29.5 mmmt -40.28 -29.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.453 ' N ' ' C ' ' A' ' 67' ' ' TYR . 57.3 t -88.91 -65.03 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -39.89 -40.45 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.575 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.51 HD22 ' CZ ' ' A' ' 67' ' ' TYR . 13.3 tp -58.31 -52.54 65.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -59.79 -42.12 92.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.9 mt -59.43 -38.5 80.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.913 ' CH2' HD11 ' A' ' 78' ' ' LEU . 13.3 t90 -62.83 -27.49 69.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.463 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 94.2 t -81.03 -31.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -71.12 -4.59 26.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.9 t -114.61 -9.04 12.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.913 HD11 ' CH2' ' A' ' 74' ' ' TRP . 14.0 mt -74.01 128.97 36.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' ' 83' ' ' ARG . 0.3 OUTLIER -47.53 175.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 -9.23 20.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.544 1.813 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -94.06 -56.89 2.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.82 -59.3 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.504 ' CZ ' ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -48.54 -50.94 30.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' PRO . . . -44.28 -42.31 6.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -71.45 -64.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.911 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 50.6 t80 -37.71 -48.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.3 OUTLIER -55.43 -48.31 74.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.1 pt-20 -38.69 -39.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.403 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 8.2 t80 -82.0 -38.4 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 7.1 mm . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.28 41.64 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 117.7 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 115.63 1.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HB3' ' NE2' ' A' ' 63' ' ' GLN . 18.2 Cg_endo -75.02 172.57 16.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.42 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.08 -166.06 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 mmm -126.5 -72.42 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -86.99 177.31 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.97 -33.34 74.53 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 22.8 t80 -62.24 -66.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -43.87 -29.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 7.2 tptt -70.11 -60.74 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.166 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 15.5 t80 -54.84 -45.74 74.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.4 m -52.07 -58.41 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -45.43 -34.64 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.44 -43.15 98.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.166 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.9 mt -69.59 -28.44 65.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.59 -28.01 56.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.19 -21.52 18.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' GLU . 80.1 m-20 -76.35 -62.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.94 27.24 7.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -20.23 61.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 0.776 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -127.63 38.91 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -84.48 1.6 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 45.4 p-80 -79.43 -26.63 41.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.558 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -111.17 169.66 6.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 162.45 36.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.12 -55.81 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -36.1 -68.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -52.37 -52.32 54.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -38.73 -63.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.641 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.9 mmt -46.24 -68.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.9 p -47.46 -47.73 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.403 ' HB3' HD13 ' A' ' 29' ' ' LEU . 5.6 tp10 -56.72 -41.52 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 38' ' ' MET . 20.6 mt -59.7 -55.44 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.05 -38.42 2.56 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -52.66 54.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -56.84 -40.63 76.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.614 ' CE3' HD11 ' A' ' 48' ' ' ILE . 35.3 t-105 -69.58 -32.36 71.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.03 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.44 -13.58 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' ILE . 1.0 OUTLIER -84.24 -58.03 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.835 HD12 ' HB3' ' A' ' 52' ' ' GLN . 20.7 pt -43.06 164.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.36 -170.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 51' ' ' SER . 34.6 tp60 -58.28 -56.5 21.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.1 t -33.16 -52.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.835 ' HB3' HD12 ' A' ' 48' ' ' ILE . 1.4 tp-100 -54.59 -57.67 10.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.561 ' HD2' ' CH2' ' A' ' 45' ' ' TRP . 6.8 mmtm -50.3 -43.38 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.77 -55.38 20.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.676 ' NE2' HD11 ' A' ' 59' ' ' LEU . 67.1 t60 -48.16 -67.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.52 ' HA ' HD12 ' A' ' 59' ' ' LEU . 11.8 m-85 -51.84 -59.17 4.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 53' ' ' LYS . 12.5 ttpt -46.45 -40.19 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.26 -57.75 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.676 HD11 ' NE2' ' A' ' 55' ' ' HIS . 12.3 mt -45.83 -48.35 15.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.41 -45.89 18.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.62 -32.36 70.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -75.72 -43.46 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -56.56 -43.25 79.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -74.13 -16.33 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -81.46 -37.13 28.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.422 ' HB3' ' NE2' ' A' ' 70' ' ' HIS . 27.7 mt-30 -76.97 -45.11 28.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -52.51 -19.96 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -71.8 -54.23 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 70' ' ' HIS . 1.3 m -66.72 -46.75 84.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.443 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 28.7 m170 -40.01 -54.53 2.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 75' ' ' VAL . 20.6 mt -48.55 -49.64 35.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -44.98 86.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 73' ' ' LEU . 6.2 mt -64.33 -36.34 83.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.069 ' CH2' HD11 ' A' ' 78' ' ' LEU . 12.1 t90 -69.91 -28.19 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 107.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 71' ' ' LEU . 40.5 t -72.34 -50.01 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -49.07 -25.04 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -87.51 -36.6 17.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.069 HD11 ' CH2' ' A' ' 74' ' ' TRP . 19.7 mt -44.41 126.42 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -54.43 178.31 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.99 -15.61 20.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.562 1.822 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -93.3 -39.53 10.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -70.61 -54.76 10.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -40.17 69.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.03 -28.66 58.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -87.47 -61.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.984 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 44.4 t80 -37.86 -46.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -56.51 -48.57 76.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.3 pt-20 -39.6 -38.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.42 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 5.1 t80 -82.55 -38.0 24.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.984 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 4.9 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.7 24.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' LYS . 11.3 mttt -99.19 113.7 26.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -40.07 105.28 0.36 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.46 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.21 18.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.4 ptm -138.69 35.89 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -173.85 138.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.86 -48.45 6.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.532 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 19.3 t80 -57.06 -62.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -48.75 -29.27 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 60' ' ' ALA . 6.0 tptt -73.25 -65.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.92 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 16.5 t80 -46.58 -45.73 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 23' ' ' LEU . 66.9 m -52.29 -59.32 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -43.58 -33.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -63.48 -42.87 98.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.92 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.9 mt -70.17 -26.85 64.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.7 mt -79.29 -27.42 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -95.49 -21.07 18.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' GLU . 78.2 m-20 -75.96 -58.95 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.92 26.8 7.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -20.42 58.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.625 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -126.04 39.15 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -93.88 19.91 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -105.44 -19.9 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -115.48 170.35 5.73 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.81 38.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.59 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -48.3 -58.85 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.624 ' O ' HG12 ' A' ' 39' ' ' VAL . 17.0 tttt -38.62 -31.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' O ' HG13 ' A' ' 39' ' ' VAL . 1.5 mt-10 -89.5 -44.62 10.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' LEU . 57.3 mtt180 -47.27 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.644 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.1 mmt -45.18 -69.19 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 35' ' ' LYS . 2.7 p -41.81 -54.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.456 ' H ' HG13 ' A' ' 39' ' ' VAL . 9.4 tp10 -50.7 -40.77 54.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 38' ' ' MET . 30.5 mt -64.16 -60.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.86 -30.69 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.54 -51.92 15.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.006 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' ILE . 10.8 mtp180 -57.55 -40.5 79.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.79 ' CE3' HD11 ' A' ' 48' ' ' ILE . 45.0 t-105 -61.96 -30.55 71.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 107.985 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -77.47 -16.94 58.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' ILE . 43.9 mtp180 -80.03 -52.45 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.79 HD11 ' CE3' ' A' ' 45' ' ' TRP . 19.1 pt -44.34 167.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.7 m -111.13 173.21 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 51' ' ' SER . 23.4 tp60 -44.7 -59.08 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' GLN . 9.2 t -38.39 -39.96 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' CB ' ' HB ' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -72.26 -72.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.556 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 30.5 mttt -39.47 -38.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.43 -54.97 18.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.729 ' CE1' HD21 ' A' ' 59' ' ' LEU . 50.3 t60 -50.0 -68.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.522 ' HA ' HD23 ' A' ' 59' ' ' LEU . 11.4 m-85 -44.32 -43.54 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.46 -29.56 50.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.772 ' HD2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.73 -44.19 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.772 HD22 ' HD2' ' A' ' 58' ' ' LYS . 2.4 mm? -49.18 -60.98 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -37.72 -45.4 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.05 -50.67 68.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -52.56 -58.81 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -47.21 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -66.99 -35.59 80.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -61.67 -39.45 91.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.4 ' O ' HG22 ' A' ' 69' ' ' VAL . 41.5 mt-30 -75.12 -45.22 42.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.1 t80 -55.43 -19.0 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -69.89 -54.44 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.41 ' H ' HG13 ' A' ' 69' ' ' VAL . 1.2 m -66.66 -43.42 90.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.4 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 28.5 m170 -46.11 -52.54 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 75' ' ' VAL . 6.7 tp -48.34 -39.5 22.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -37.68 65.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.28 -35.94 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.99 ' CH2' HD11 ' A' ' 78' ' ' LEU . 14.9 t90 -69.01 -29.14 67.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 71' ' ' LEU . 35.4 t -72.3 -48.61 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -51.55 -23.22 3.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -88.1 -32.45 18.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.928 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.99 HD11 ' CH2' ' A' ' 74' ' ' TRP . 34.0 mt -49.57 135.42 18.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -65.05 179.37 0.41 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.01 -13.55 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -94.04 -42.69 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.54 -57.76 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -35.58 30.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.93 -31.97 65.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -81.79 -61.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.551 ' CE1' HD11 ' A' ' 90' ' ' ILE . 4.1 t80 -39.74 -48.36 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -44.01 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 pt-20 -46.74 -36.14 6.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.432 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 6.0 t80 -79.46 -34.53 41.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.551 HD11 ' CE1' ' A' ' 86' ' ' TYR . 4.4 mm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 162.11 37.7 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.69 136.06 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 105.57 0.49 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.558 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.98 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.0 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.564 1.823 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.7 mmm -134.65 -65.34 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -92.04 173.47 7.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.53 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -66.62 -34.2 86.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.551 1.157 . . . . 0.0 111.069 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.535 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 22.4 t80 -60.23 -62.12 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -47.74 -30.27 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -69.93 -62.0 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.17 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 28.6 t80 -50.74 -43.93 58.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' LEU . 74.9 m -54.42 -61.57 2.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.89 -32.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -67.23 -43.97 80.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.17 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.1 mt -71.54 -29.15 64.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.1 mt -75.75 -27.61 58.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -95.38 -20.74 18.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 76.1 m-20 -76.37 -60.36 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.32 29.35 6.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.89 -30.82 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.708 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -113.58 40.08 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.01 1.06 56.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 35.0 p-80 -82.13 -24.94 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -110.14 170.77 4.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.79 30.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.598 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -53.01 -56.1 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 39' ' ' VAL . 3.6 tptt -41.71 -28.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.8 mt-10 -90.1 -50.81 5.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -38.96 -64.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.8 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.5 mmt -46.28 -69.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.536 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.2 p -45.2 -49.18 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.57 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.7 tp10 -53.24 -43.34 67.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.364 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 38' ' ' MET . 15.7 mt -58.86 -59.95 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.77 -32.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -72.8 -53.8 10.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 110.032 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 41' ' ' ILE . 25.2 mtp180 -59.32 -30.72 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.559 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 46.0 t-105 -70.45 -33.06 70.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -82.06 -1.98 50.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' ILE . 38.2 mtp180 -90.75 -53.54 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.949 HD12 ' HB3' ' A' ' 52' ' ' GLN . 20.5 pt -47.94 174.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.0 m -106.69 -174.32 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' SER . 17.2 tp60 -54.86 -51.75 64.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLN . 10.6 t -36.57 -65.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.949 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -46.14 -71.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.559 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 14.1 mttt -39.57 -44.87 1.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.48 -63.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.819 ' CE1' HD21 ' A' ' 59' ' ' LEU . 11.1 t60 -43.95 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.629 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 9.6 m-85 -47.24 -40.07 15.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -63.54 -25.16 68.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.533 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -84.75 -47.61 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.819 HD21 ' CE1' ' A' ' 55' ' ' HIS . 2.9 mm? -51.81 -53.01 44.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.66 -41.41 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.71 -42.63 95.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -65.91 -42.74 89.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -46.9 79.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -70.93 -23.16 62.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -73.03 -39.72 65.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -74.4 -45.55 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.558 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.1 t80 -53.39 -20.82 4.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 111.02 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -57.07 5.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.98 -40.84 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -48.26 -42.78 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.459 ' HA ' HD12 ' A' ' 71' ' ' LEU . 6.4 tp -58.63 -40.03 82.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -39.05 70.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt -60.86 -35.38 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.046 ' CH2' HD11 ' A' ' 78' ' ' LEU . 14.5 t90 -71.7 -28.15 63.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 108.031 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 71' ' ' LEU . 30.4 t -74.7 -42.76 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -56.57 -18.97 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.6 m -95.95 -23.63 16.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.046 HD11 ' CH2' ' A' ' 74' ' ' TRP . 15.5 mt -57.51 125.67 23.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -54.76 178.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -14.89 20.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -94.09 -37.93 11.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.89 -54.71 9.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -38.74 66.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.85 -29.17 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -84.88 -60.9 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.487 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 4.5 t80 -38.43 -45.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -60.37 -47.67 85.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.7 pt-20 -39.75 -39.89 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 12.8 t80 -77.23 -39.29 49.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.487 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 16.5 mm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 150.95 38.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -119.8 136.45 54.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 100.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 173.45 14.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.463 ' CG ' ' HB2' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.0 151.92 40.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.2 ptm -143.22 64.58 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 171.3 -53.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.06 -41.56 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.513 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 12.2 t80 -68.39 -40.27 81.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -67.39 -25.09 65.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HB2' ' CG ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -67.86 -61.09 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.134 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 16.9 t80 -54.9 -39.45 68.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 m -58.26 -56.13 26.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -48.8 -32.28 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -65.93 -41.32 91.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.134 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.7 mt -72.1 -26.12 62.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.4 mt -78.39 -27.23 46.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.4 -20.91 18.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.957 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 80.3 m-20 -76.28 -60.82 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.29 28.01 7.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.65 -23.52 58.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -124.1 39.19 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -86.34 1.77 49.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 39.6 p-80 -80.37 -23.14 40.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -114.49 169.36 6.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.04 30.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -45.69 -56.09 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -35.89 -68.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.515 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -52.52 -53.31 47.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' GLU . 1.1 mtm180 -37.8 -62.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.64 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.4 mmt -46.91 -68.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.515 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.7 p -47.4 -47.83 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.7 tp10 -55.79 -40.71 73.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 38' ' ' MET . 18.6 mt -61.68 -57.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -41.41 -39.93 2.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -51.15 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 0.757 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 14.1 mtp180 -59.01 -45.8 89.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.772 ' CE3' HD11 ' A' ' 48' ' ' ILE . 35.8 t-105 -59.11 -29.23 67.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.033 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -77.19 -12.95 60.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' CD ' ' HA ' ' A' ' 44' ' ' ARG . 0.4 OUTLIER -88.62 -52.08 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.772 HD11 ' CE3' ' A' ' 45' ' ' TRP . 15.0 pt -40.76 160.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.89 164.77 12.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -41.29 -55.04 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 t -39.19 -44.73 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.56 ' NE2' HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -61.32 -72.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.578 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 33.1 mttp -42.86 -38.92 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.12 -57.51 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.852 ' CE1' HD21 ' A' ' 59' ' ' LEU . 10.7 t60 -52.76 -66.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.586 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.573 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 10.3 m-85 -45.62 -33.13 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -69.98 -31.6 69.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -77.41 -44.11 30.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.852 HD21 ' CE1' ' A' ' 55' ' ' HIS . 2.7 mm? -51.99 -49.43 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.33 -41.85 9.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.05 -39.02 93.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.35 -42.47 54.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -60.39 -48.1 83.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -69.16 -19.91 64.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -75.85 -45.64 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.416 ' HB3' ' NE2' ' A' ' 70' ' ' HIS . 70.9 mt-30 -70.82 -45.55 64.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.518 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.4 t80 -52.23 -22.86 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -68.77 -58.89 3.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' H ' HG13 ' A' ' 69' ' ' VAL . 1.7 m -63.22 -40.77 90.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 66' ' ' GLN . 21.2 m170 -46.34 -51.33 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.621 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.0 tp -50.06 -41.66 48.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.99 -38.9 79.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.526 HD22 ' HE3' ' A' ' 76' ' ' LYS . 8.1 mt -62.18 -40.8 97.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.97 ' CH2' HD11 ' A' ' 78' ' ' LEU . 20.6 t90 -67.35 -25.26 65.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' LEU . 34.3 t -78.41 -40.87 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.526 ' HE3' HD22 ' A' ' 73' ' ' LEU . 5.1 mtmt -56.9 -20.17 21.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -94.91 -29.48 14.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.97 HD11 ' CH2' ' A' ' 74' ' ' TRP . 14.2 mt -49.32 124.72 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -53.91 178.57 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -74.99 -15.85 20.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -93.14 -39.35 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -69.7 -56.4 7.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -40.3 62.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.97 -25.58 30.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -90.83 -60.67 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.929 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 3.0 t80 -39.59 -45.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -58.47 -46.18 87.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.6 pt-20 -41.34 -38.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.409 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 7.9 t80 -80.05 -35.86 36.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.929 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 6.2 mm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.28 35.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.62 123.95 51.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 109.87 0.64 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.465 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.94 170.06 21.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.12 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -151.14 154.79 37.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 61.24 -81.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . . . 168.96 -30.5 0.16 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -67.52 -38.71 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 13' ' ' MET . 20.3 mt-30 -65.43 -29.54 70.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -65.49 -63.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.17 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 23.5 t80 -53.58 -43.7 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' LEU . 56.5 m -54.86 -62.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -42.67 -33.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -65.76 -44.6 85.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.17 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mt -69.6 -27.08 64.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 mt -78.68 -27.51 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 t -95.36 -20.28 19.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' GLU . 82.0 m-20 -77.73 -62.23 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.03 27.28 6.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.64 -16.83 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -127.68 39.37 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.58 -1.12 57.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 38.6 p-80 -78.82 -24.56 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -110.26 170.54 5.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.2 Cg_endo -75.05 151.28 39.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.769 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -40.8 -56.28 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.5 tptt -38.89 -41.45 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.2 mt-10 -76.89 -48.85 17.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HD2' HD22 ' A' ' 34' ' ' LEU . 2.9 mtt180 -38.18 -62.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.754 ' HA ' HD12 ' A' ' 41' ' ' ILE . 8.7 mmt -46.96 -69.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.536 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.4 p -46.75 -48.16 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -54.26 -43.49 71.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.7 mt -58.07 -59.44 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.23 -32.92 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -72.27 -52.99 13.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' ILE . 18.8 mtp180 -60.54 -30.95 70.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.566 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 43.8 t-105 -70.02 -33.06 71.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.05 -1.75 55.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -89.78 -51.0 5.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.03 HD12 ' HB3' ' A' ' 52' ' ' GLN . 21.7 pt -50.74 179.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.2 m -113.1 -174.9 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' SER . 22.5 tp60 -55.24 -50.24 69.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.7 t -37.19 -58.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 1.03 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -53.28 -72.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.566 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 18.0 mttp -39.83 -41.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -60.56 -54.89 39.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.832 ' NE2' HD11 ' A' ' 59' ' ' LEU . 48.3 t60 -59.38 -66.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 7.8 m-85 -43.3 -25.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' O ' ' OE2' ' A' ' 61' ' ' GLU . 18.3 ttpt -88.55 -47.65 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.61 -29.81 70.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.832 HD11 ' NE2' ' A' ' 55' ' ' HIS . 47.9 mt -73.54 -44.96 56.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.69 -37.52 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 61' ' ' GLU . 5.5 mm-40 -66.68 -35.05 79.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.43 1.081 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -71.65 -39.56 70.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -45.99 87.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -72.43 -16.3 61.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -81.38 -38.02 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -78.86 -43.82 24.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.535 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -54.5 -19.88 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -70.31 -53.93 14.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -67.71 -41.37 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -48.16 -45.29 33.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.596 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.9 tp -56.16 -40.03 73.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -40.4 67.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.3 -37.53 77.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.059 ' CH2' HD11 ' A' ' 78' ' ' LEU . 19.4 t90 -67.74 -31.78 71.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 71' ' ' LEU . 49.8 t -72.7 -45.53 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -55.16 -19.58 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.79 -24.46 16.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.059 HD11 ' CH2' ' A' ' 74' ' ' TRP . 14.1 mt -56.8 126.22 25.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -52.05 179.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -74.98 -17.56 19.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.449 1.763 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 6.5 tt0 -92.01 -50.93 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -56.22 -56.18 24.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.366 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.41 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.11 -40.77 67.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -52.43 -27.47 16.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.44 -48.29 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.569 ' CE1' HG13 ' A' ' 90' ' ' ILE . 20.6 t80 -53.92 -59.41 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -40.06 75.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.28 -33.25 41.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -87.8 -28.31 21.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.6 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 147.26 33.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -117.69 133.55 55.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.65 107.35 0.77 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -177.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -155.28 139.32 16.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 13' ' ' MET . 4.6 m-20 82.58 -62.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.56 -33.54 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -66.25 -39.49 89.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 13' ' ' MET . 29.5 mt-30 -67.07 -25.0 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -60.63 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.191 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 19.6 t80 -58.42 -41.67 85.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LEU . 23.0 m -54.64 -62.68 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -43.32 -35.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -62.58 -43.91 97.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.191 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.98 -22.97 63.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -81.03 -28.75 35.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.23 -19.9 19.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 85.3 m-20 -77.56 -61.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.62 26.64 7.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.46 -18.94 61.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -126.79 37.05 4.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -87.31 -1.68 58.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 40.2 p-80 -77.05 -25.15 52.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.616 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -110.21 170.42 5.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 18.4 Cg_endo -74.97 156.95 43.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -44.29 -56.37 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' HG12 ' A' ' 39' ' ' VAL . 9.5 tptt -40.14 -34.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.523 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.4 mm-40 -83.83 -49.95 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' GLU . 4.3 mtt180 -38.07 -63.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.728 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.7 mmt -46.29 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.523 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.4 p -46.01 -48.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.6 tp10 -54.56 -41.26 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 38' ' ' MET . 18.8 mt -61.53 -60.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.7 -32.08 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.16 -54.25 8.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.036 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ILE . 24.6 mtp180 -57.29 -36.43 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 44.4 t-105 -66.35 -33.12 75.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -84.15 -5.4 59.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -87.66 -51.42 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.993 HD12 ' HB3' ' A' ' 52' ' ' GLN . 16.3 pt -48.73 175.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.48 -171.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 51' ' ' SER . 21.9 tp60 -59.73 -51.81 68.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' GLN . 28.4 t -37.06 -57.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.993 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -53.09 -72.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 110.346 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 47.1 mttt -40.23 -39.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.19 -61.23 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.746 ' CD2' HD11 ' A' ' 59' ' ' LEU . 25.4 t60 -50.87 -68.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 8.1 m-85 -41.59 -27.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' HIS . 3.6 ttpp -83.85 -45.25 13.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.476 ' HD2' ' C ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -63.52 -40.99 98.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.746 HD11 ' CD2' ' A' ' 55' ' ' HIS . 77.9 mt -59.93 -46.63 88.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.502 ' HB3' ' OE2' ' A' ' 61' ' ' GLU . . . -49.83 -43.41 48.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.502 ' OE2' ' HB3' ' A' ' 60' ' ' ALA . 2.1 mm-40 -61.61 -36.81 81.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -44.65 63.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -40.0 77.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -78.44 -14.98 59.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -81.37 -37.12 28.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.412 ' O ' HG22 ' A' ' 69' ' ' VAL . 25.5 mt-30 -78.84 -42.67 26.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.3 t80 -53.74 -22.08 8.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -69.17 -52.13 31.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.1 m -69.95 -40.97 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -48.6 -38.89 22.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.6 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.2 tp -63.88 -38.92 92.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -47.95 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.1 mt -54.45 -34.7 61.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.824 ' CH2' HD11 ' A' ' 78' ' ' LEU . 19.2 t90 -69.42 -34.92 75.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 107.985 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 71' ' ' LEU . 42.1 t -68.97 -35.23 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -67.04 -15.22 63.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -101.8 7.63 41.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.824 HD11 ' CH2' ' A' ' 74' ' ' TRP . 25.4 mt -91.88 147.62 22.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.544 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -73.12 -179.82 0.96 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -15.36 20.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.424 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 7.7 tt0 -93.63 -52.52 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -55.47 -56.57 18.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -45.86 71.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -44.32 -51.04 8.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -65.61 -61.92 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 90' ' ' ILE . 88.4 t80 -42.36 -50.43 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -36.84 69.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -52.57 -35.83 54.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -84.02 -38.81 20.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 86' ' ' TYR . 7.7 mm . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.602 ' HG3' HD12 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -75.05 138.98 23.61 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' CE2' ' A' ' 67' ' ' TYR . 6.7 mttt -53.92 -176.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -133.96 78.82 58.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.8 13.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.3 mmm -127.8 -59.19 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -98.06 -177.54 3.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.04 -34.7 61.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.485 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 17.4 t80 -61.1 -64.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -46.97 -30.16 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -68.78 -60.84 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.087 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 10.6 t80 -54.86 -44.43 73.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' LEU . 38.8 m -55.39 -56.92 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -44.53 -34.54 2.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -64.34 -43.77 93.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.087 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.3 -24.78 63.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.2 mt -80.6 -27.55 37.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.58 -20.66 18.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 85.0 m-20 -77.56 -62.43 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.56 26.58 7.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.2 -17.62 61.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -128.23 37.22 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.99 0.45 48.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 43.4 p-80 -78.97 -21.49 47.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -116.02 169.51 6.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 161.77 38.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.612 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.24 -56.09 3.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 34' ' ' LEU . 13.7 tptt -36.08 -66.09 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -54.39 -53.32 55.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -37.95 -62.07 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.644 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.7 mmt -47.35 -68.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.513 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.7 p -47.54 -47.5 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.89 -37.81 69.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.7 mt -66.11 -55.51 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.36 -32.84 1.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -53.97 11.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -54.86 -43.7 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.739 ' CE3' HD11 ' A' ' 48' ' ' ILE . 37.0 t-105 -63.14 -27.5 69.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -81.97 -7.01 59.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' ILE . 13.6 mtp-105 -93.29 -46.31 7.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.739 HD11 ' CE3' ' A' ' 45' ' ' TRP . 26.3 pt -49.04 177.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.97 -174.82 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . 34.2 tp60 -55.92 -53.86 51.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -38.74 -46.3 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -66.08 -59.62 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 13.6 mttt -49.54 -44.18 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -60.38 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 59' ' ' LEU . 76.9 t60 -48.53 -65.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.414 ' HA ' HD12 ' A' ' 59' ' ' LEU . 21.2 m-85 -46.85 -53.8 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -51.99 -43.74 63.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -61.56 -55.1 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD11 ' NE2' ' A' ' 55' ' ' HIS . 51.4 mt -44.14 -53.37 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.02 -48.6 6.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -55.81 -40.07 72.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' LEU . 8.3 tp10 -69.73 -36.04 75.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.15 -50.16 72.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -68.23 -31.5 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.46 -44.17 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.43 ' O ' HG22 ' A' ' 69' ' ' VAL . 36.9 mt-30 -73.78 -44.79 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.6 t80 -55.02 -24.89 26.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -62.76 -54.04 45.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASP . 1.0 OUTLIER -67.47 -41.99 86.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -47.78 -38.02 14.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.559 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.602 HD12 ' HG3' ' A' ' 8' ' ' PRO . 12.7 tp -60.97 -35.77 77.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -76.95 -39.05 52.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mt -61.65 -31.42 71.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.999 ' CH2' HD11 ' A' ' 78' ' ' LEU . 13.9 t90 -71.71 -32.45 67.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 108.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.43 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 25.5 t -67.97 -50.1 62.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -51.43 -22.59 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.35 -31.55 20.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.961 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.999 HD11 ' CH2' ' A' ' 74' ' ' TRP . 44.1 mt -51.08 141.15 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -67.73 179.39 0.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.02 -14.69 21.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -94.17 -41.96 9.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -68.72 -56.04 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -40.74 64.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.74 -27.12 38.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -88.66 -61.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CE1' HG13 ' A' ' 90' ' ' ILE . 4.2 t80 -38.88 -47.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -61.11 -44.93 96.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -42.42 -37.4 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -82.09 -33.31 29.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.573 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.4 mm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.79 10.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 158.71 15.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 112.89 11.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.59 16.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 179.18 6.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.422 ' HB2' ' NE2' ' A' ' 17' ' ' GLN . 5.7 mmm -121.37 -58.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -100.06 178.9 4.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.36 -42.82 48.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.536 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 25.4 t80 -59.09 -51.27 70.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 13' ' ' MET . 19.8 mt-30 -55.05 -29.57 57.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -69.47 -68.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.154 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 26.5 t80 -45.74 -42.24 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.8 m -54.75 -49.65 70.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -54.88 -33.9 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -64.54 -42.62 95.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.154 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -71.16 -30.49 66.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -74.27 -27.03 60.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.64 -21.08 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 79.5 m-20 -76.32 -60.75 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.46 ' O ' ' ND2' ' A' ' 30' ' ' ASN . . . 103.24 25.6 7.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.8 mt-10 -77.98 -9.7 59.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -134.77 39.41 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 27' ' ' GLY . 12.9 p30 -89.31 4.53 48.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -85.19 -28.65 25.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.547 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD12 ' HG2' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -111.36 162.37 21.25 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 162.11 37.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.487 1.783 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.622 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.1 tm? -45.8 -57.89 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 10.6 tptm -39.48 -29.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' LEU . 7.4 mm-40 -94.36 -43.68 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.511 ' HG2' HD12 ' A' ' 32' ' ' LEU . 91.4 mtt180 -49.13 -54.31 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.572 ' HG3' HD11 ' A' ' 34' ' ' LEU . 2.9 mmt -54.89 -16.42 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 1.6 t -91.02 -58.73 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.24 -37.73 37.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.474 HG13 ' CD1' ' A' ' 29' ' ' LEU . 40.7 mt -62.65 -59.18 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.8 -33.99 0.46 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -55.63 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -55.46 -36.94 67.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.778 ' CE3' HD11 ' A' ' 48' ' ' ILE . 47.7 t-105 -66.02 -32.98 74.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.86 -13.47 60.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' ILE . 23.4 mtp85 -82.68 -59.41 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.778 HD11 ' CE3' ' A' ' 45' ' ' TRP . 15.4 pt -40.53 160.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 m -93.92 -175.53 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 10.0 tp60 -56.94 -54.66 44.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' GLN . 28.4 t -37.78 -64.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -46.47 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.625 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 4.1 mttm -41.62 -39.85 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.62 -56.0 16.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.986 ' CD2' HD11 ' A' ' 59' ' ' LEU . 50.9 t60 -53.15 -68.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.485 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 7.1 m-85 -38.47 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' HIS . 11.9 ttmt -83.15 -48.73 10.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -59.12 -33.73 71.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.986 HD11 ' CD2' ' A' ' 55' ' ' HIS . 79.2 mt -67.01 -45.23 78.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.409 ' HB3' ' OE2' ' A' ' 61' ' ' GLU . . . -48.8 -32.32 8.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' A' ' 57' ' ' LYS . 4.7 mm-40 -72.79 -33.43 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -77.18 -44.36 30.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -40.86 60.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -75.85 -21.12 57.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.24 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -77.67 -39.11 46.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.426 ' O ' HG22 ' A' ' 69' ' ' VAL . 72.9 mm-40 -76.4 -44.94 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.8 t80 -49.38 -25.17 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -51.53 50.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -69.15 -40.72 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -50.08 -38.65 39.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.55 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 tp -64.26 -35.81 82.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -35.28 54.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.06 -34.01 77.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.049 ' CH2' HD11 ' A' ' 78' ' ' LEU . 9.5 t90 -69.8 -28.49 65.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.54 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 19.3 t -72.55 -40.84 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -57.06 -21.17 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 -28.48 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.972 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.049 HD11 ' CH2' ' A' ' 74' ' ' TRP . 18.8 mt -52.09 124.96 14.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -53.77 178.39 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 -14.33 21.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.38 -41.38 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.36 -55.82 8.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -37.21 53.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.23 64.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -82.55 -63.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.616 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 4.7 t80 -38.43 -46.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -59.42 -47.18 86.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.0 pt-20 -40.8 -39.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.424 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 9.1 t80 -78.47 -36.99 44.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.616 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 9.4 mm . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.64 38.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -113.29 117.23 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.42 102.18 0.26 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.449 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.1 Cg_endo -75.04 -175.81 2.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.02 -64.26 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 16' ' ' TYR . 2.3 p30 -109.4 147.0 33.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 57' ' ' LYS . . . -40.4 -28.74 0.2 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.572 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 12.4 t80 -61.05 -64.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -51.88 -28.32 15.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 2.8 tttt -66.64 -61.32 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.011 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 4.5 t80 -57.87 -47.78 81.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.6 m -43.35 -49.54 6.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -32.26 34.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.1 tt0 -61.52 -50.97 70.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.011 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 5.0 mt -58.4 -17.06 17.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD21 HD11 ' A' ' 41' ' ' ILE . 30.3 mt -92.07 -19.6 22.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.41 -31.71 12.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -83.34 -9.46 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.95 13.2 59.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.49 -37.64 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -135.4 41.83 2.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -90.23 18.83 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 31.0 p-80 -101.07 -17.79 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.585 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -117.39 169.99 6.72 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.5 Cg_endo -75.0 155.93 42.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' ARG . 4.9 tp -44.8 -54.88 5.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -41.31 -29.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.6 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.9 mt-10 -95.11 -36.02 11.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' LEU . 67.0 mtt180 -57.31 -69.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.536 ' HA ' HD12 ' A' ' 41' ' ' ILE . 19.9 mmt -40.56 -65.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.607 HG13 ' H ' ' A' ' 40' ' ' GLU . 2.4 p -43.06 -59.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.607 ' H ' HG13 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -54.3 -41.92 69.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 HD21 ' A' ' 24' ' ' LEU . 53.4 mt -58.08 -54.34 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.76 -39.56 1.91 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.431 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -61.8 -44.3 97.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -61.62 -52.83 62.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' A' ' 16' ' ' TYR . 45.4 t-105 -56.66 -31.03 64.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -79.1 -21.37 46.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.337 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 48' ' ' ILE . 8.3 mtt180 -79.5 -52.78 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.849 HG21 ' OE1' ' A' ' 52' ' ' GLN . 9.8 pt -45.92 170.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.65 -167.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 51' ' ' SER . 18.4 tp60 -71.06 -51.35 25.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' GLN . 48.1 t -38.2 -54.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.849 ' OE1' HG21 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -56.71 -71.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 15.9 mttt -39.37 -43.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.34 -50.04 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' GLN . 75.5 t60 -57.34 -62.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 17.5 m-85 -50.17 -58.27 5.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' N ' ' HA3' ' A' ' 15' ' ' GLY . 25.3 ttpt -46.78 -42.89 17.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.99 -56.83 13.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' GLU . 63.3 mt -44.91 -55.4 5.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.16 -47.05 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.11 -42.93 91.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -60.64 -39.98 90.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -54.81 40.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -62.55 -20.29 64.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -75.47 -42.39 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.418 ' O ' HG22 ' A' ' 69' ' ' VAL . 76.2 mt-30 -74.3 -44.67 51.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.4 t80 -52.87 -22.08 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -57.49 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.5 m -64.31 -40.23 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -47.67 -48.74 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.583 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.9 tp -52.64 -41.66 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -42.16 69.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.49 -37.89 79.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.042 ' CH2' HD11 ' A' ' 78' ' ' LEU . 18.5 t90 -70.05 -29.86 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 71' ' ' LEU . 29.5 t -72.02 -49.1 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -51.51 -22.05 2.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 m -89.91 -32.06 17.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.042 HD11 ' CH2' ' A' ' 74' ' ' TRP . 26.0 mt -48.98 131.6 18.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.515 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.94 178.66 0.21 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.949 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.02 -14.83 20.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -93.41 -41.92 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -68.69 -57.54 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -40.28 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.93 -28.51 51.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -86.96 -60.12 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.553 ' CE1' HG13 ' A' ' 90' ' ' ILE . 3.4 t80 -41.24 -47.69 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -40.24 89.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -48.37 -38.21 18.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -79.92 -32.34 40.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.553 HG13 ' CE1' ' A' ' 86' ' ' TYR . 8.0 mm . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.29 35.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -113.88 142.42 46.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.67 108.63 1.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.553 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.02 168.77 24.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.49 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 mmm -120.98 -42.85 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -124.34 168.98 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.534 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -61.26 -25.77 65.16 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.123 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.554 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 10.9 t80 -68.48 -67.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -49.02 -27.62 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -64.6 -56.56 13.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.015 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 8.1 t80 -66.58 -47.46 72.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' LEU . 20.0 m -43.6 -57.54 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -44.59 -28.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -67.16 -43.78 81.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.015 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 6.6 mt -71.51 -12.31 61.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.426 HD21 HD11 ' A' ' 41' ' ' ILE . 11.6 mt -93.86 -26.54 16.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.81 -20.14 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 92.7 m-20 -77.6 -61.08 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.37 26.5 6.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -21.42 60.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -123.96 39.67 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.449 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -88.85 10.84 19.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -93.3 -16.97 24.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -120.2 166.21 15.85 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.25 41.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 34' ' ' LEU . 3.1 tm? -43.8 -61.97 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 34' ' ' LEU . 8.3 tptt -35.29 -35.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.531 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.7 mt-10 -87.42 -47.13 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' LEU . 91.4 mtt180 -43.39 -59.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.848 ' HA ' HD12 ' A' ' 41' ' ' ILE . 88.9 mmm -49.7 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.531 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.9 p -42.98 -48.1 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.11 -42.6 77.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 38' ' ' MET . 13.9 mt -58.39 -53.86 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.76 -37.23 1.26 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -45.12 87.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -63.89 -52.0 61.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 36.6 t-105 -58.46 -28.4 65.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -84.22 -18.18 37.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' ILE . 65.4 mtt-85 -78.05 -55.12 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.954 HD12 ' HB3' ' A' ' 52' ' ' GLN . 24.1 pt -47.48 173.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -107.46 -174.41 2.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' SER . 16.1 tp60 -54.15 -51.85 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.8 t -36.41 -64.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.954 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -46.61 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 81.1 mttt -39.82 -53.53 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.73 -45.37 70.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.444 ' NE2' HD11 ' A' ' 59' ' ' LEU . 58.2 t60 -60.56 -59.63 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 21.2 m-85 -54.0 -63.29 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.433 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 10.4 ptmt -43.42 -40.85 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.23 -59.85 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' GLU . 63.3 mt -41.25 -57.49 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -38.94 -52.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.11 -45.44 64.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -72.76 -34.97 67.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.46 ' CG ' ' HB3' ' A' ' 11' ' ' PRO . 1.8 tt0 -61.87 -41.96 98.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -76.48 -22.83 54.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -67.66 -40.97 84.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.441 ' O ' HG22 ' A' ' 69' ' ' VAL . 39.3 mt-30 -74.1 -44.79 52.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.553 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 2.2 t80 -48.92 -28.46 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -65.34 -59.63 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.5 m -63.35 -41.64 93.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -48.31 -42.41 31.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.583 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 71' ' ' LEU . 8.7 tp -59.14 -42.34 90.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -67.28 -48.01 68.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 73' ' ' LEU . 6.9 mt -52.8 -29.37 27.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.985 ' CH2' HD11 ' A' ' 78' ' ' LEU . 33.7 t90 -76.11 -30.22 58.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 71' ' ' LEU . 86.0 t -78.1 -33.82 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -68.95 -7.59 36.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -111.42 -11.19 14.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.985 HD11 ' CH2' ' A' ' 74' ' ' TRP . 12.3 mt -71.42 126.7 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -47.2 174.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.934 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.01 -7.77 19.45 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -94.65 -55.49 3.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -56.36 22.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.511 ' CZ ' ' O ' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -50.12 -47.2 54.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 88' ' ' GLU . . . -53.53 -34.87 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.2 -51.3 9.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 58.4 t80 -58.53 -57.68 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -31.25 68.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' CB ' ' O ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -61.33 -33.54 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -86.08 -34.14 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.545 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 2.2 mm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -174.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.98 26.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.0 103.28 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.621 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -75.05 173.82 13.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.36 2.33 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.438 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 8.6 ptp -146.41 147.88 31.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 74.83 -60.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.14 -23.58 2.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.113 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.509 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 9.0 t80 -65.87 -41.16 91.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' NE2' ' HG2' ' A' ' 13' ' ' MET . 16.1 mt-30 -65.83 -30.02 70.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.162 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -58.45 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.162 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 20.0 t80 -56.57 -39.72 73.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' LEU . 24.1 m -57.13 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.23 -31.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -66.39 -42.8 87.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.162 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mt -70.85 -30.88 67.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.49 -27.21 60.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -95.4 -22.27 17.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 76.8 m-20 -75.14 -60.33 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.08 29.71 6.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.08 -17.85 56.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.546 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -126.01 39.28 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.63 10.91 21.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.546 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 31.4 p-80 -92.11 -21.51 20.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.638 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.537 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -115.22 168.64 7.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.05 155.71 42.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -40.41 -56.38 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -35.91 -55.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.547 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -67.34 -49.15 65.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' GLU . 61.5 mtt180 -38.64 -61.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.676 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.2 mmt -48.49 -69.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.547 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.2 p -46.48 -48.7 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.48 -41.84 63.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 38' ' ' MET . 17.3 mt -62.03 -61.87 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.93 -31.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.11 -54.82 7.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' ILE . 15.5 mtp85 -55.57 -36.19 66.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.558 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 41.7 t-105 -65.34 -31.84 73.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.001 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -2.58 58.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.5 mtp85 -91.62 -50.91 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.983 HD12 ' HB3' ' A' ' 52' ' ' GLN . 22.7 pt -49.49 177.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.33 -173.84 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' SER . 20.5 tp60 -56.68 -49.82 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLN . 7.1 t -37.53 -62.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.983 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -48.68 -71.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 52.7 mttt -40.07 -45.81 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.22 -56.26 23.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.648 ' CE1' HD21 ' A' ' 59' ' ' LEU . 17.6 t60 -54.42 -65.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 12.3 m-85 -50.58 -26.11 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 9.6 ttpt -75.89 -24.05 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -87.31 -42.07 13.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.648 HD21 ' CE1' ' A' ' 55' ' ' HIS . 3.3 mm? -54.17 -57.29 11.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -40.1 -46.12 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 4.2 mt-10 -57.85 -47.68 81.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -63.91 -39.18 93.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -63.11 -48.24 79.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -67.58 -23.61 65.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -71.13 -43.99 66.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.44 ' O ' HG22 ' A' ' 69' ' ' VAL . 32.2 mt-30 -71.69 -44.54 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.621 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 4.2 t80 -53.97 -24.97 18.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -51.14 65.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -71.55 -40.4 71.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -48.83 -45.27 40.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.6 tp -57.69 -40.37 79.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.65 -39.05 64.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.78 -38.88 92.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.081 ' CH2' HD11 ' A' ' 78' ' ' LEU . 13.1 t90 -66.85 -31.93 72.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 71' ' ' LEU . 24.9 t -67.36 -50.17 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -49.34 -24.29 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.52 -33.92 21.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.081 HD11 ' CH2' ' A' ' 74' ' ' TRP . 15.4 mt -50.06 122.69 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -51.0 178.62 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.957 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 -16.18 20.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -92.09 -41.47 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.83 -57.87 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -35.73 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.17 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.06 -50.75 7.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.54 ' CE1' HG13 ' A' ' 90' ' ' ILE . 22.8 t80 -55.15 -59.74 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -35.38 70.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -33.23 67.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -88.07 -28.2 21.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.54 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.4 mm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.79 162.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.48 117.71 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.21 149.39 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.41 -54.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.766 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.52 165.11 24.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.82 -87.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 151.15 39.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -115.81 131.32 56.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.81 101.53 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.499 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.95 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -174.15 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.76 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 mmm -124.11 -63.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -89.63 -65.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.76 -30.07 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 9.6 t80 -62.28 -32.44 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -72.02 -23.89 61.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -68.79 -58.46 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.075 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 14.6 t80 -54.03 -40.91 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LEU . 39.6 m -60.73 -59.57 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -42.16 -34.55 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -65.79 -45.24 83.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.075 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.9 mt -69.46 -19.58 63.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.41 -27.44 22.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -95.64 -21.06 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 86.1 m-20 -76.54 -60.64 2.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.49 28.88 6.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -29.95 62.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.773 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.928 HD22 ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -116.23 40.02 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -87.2 7.37 28.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.504 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 44.3 p-80 -88.02 -22.06 24.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.636 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -114.0 169.16 6.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.0 158.73 42.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -40.22 -55.22 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' LEU . 8.7 tptm -36.99 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.531 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.3 mt-10 -51.28 -50.37 59.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -41.52 -62.05 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.629 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.7 mmt -48.14 -68.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.531 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 4.0 p -46.08 -49.21 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.928 ' OE2' HD22 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -54.98 -40.84 70.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.9 mt -62.5 -63.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.51 -36.2 0.4 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -56.31 7.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -52.04 -38.75 58.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.577 ' CH2' ' HA ' ' A' ' 53' ' ' LYS . 27.2 t-105 -66.25 -30.83 71.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -79.5 -1.81 39.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -96.16 -51.32 4.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.765 HD12 ' HB3' ' A' ' 52' ' ' GLN . 20.6 pt -46.76 171.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.45 173.6 6.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -48.2 -50.53 28.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.0 t -38.87 -66.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.765 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -41.57 -72.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 45.2 mttp -40.99 -50.11 3.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.48 -49.71 69.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.464 ' NE2' HD11 ' A' ' 59' ' ' LEU . 74.2 t60 -56.19 -59.36 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.54 -33.44 60.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -69.14 -40.37 78.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.6 -46.02 77.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.464 HD11 ' NE2' ' A' ' 55' ' ' HIS . 50.5 mt -56.8 -48.79 77.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.34 -39.12 6.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.22 -39.5 89.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -74.65 -43.31 55.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -49.51 76.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -67.13 -21.89 65.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -76.61 -45.29 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.401 ' O ' HG22 ' A' ' 69' ' ' VAL . 34.6 mt-30 -69.52 -46.4 66.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -50.94 -25.0 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -57.34 7.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' H ' HG13 ' A' ' 69' ' ' VAL . 1.4 m -66.32 -41.01 88.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -48.36 -42.38 31.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.591 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.5 tp -58.45 -38.5 77.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.19 -41.29 61.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.7 -34.24 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.039 ' CH2' HD11 ' A' ' 78' ' ' LEU . 21.0 t90 -72.72 -27.84 62.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.024 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.484 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 23.3 t -74.57 -45.57 44.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -52.65 -21.98 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 m -91.42 -33.64 15.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.039 HD11 ' CH2' ' A' ' 74' ' ' TRP . 17.4 mt -46.09 124.97 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -52.5 178.8 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -14.92 20.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -94.15 -40.91 9.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -70.25 -53.44 16.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -37.81 64.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.31 -29.96 67.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -83.58 -61.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.583 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 5.0 t80 -40.24 -46.21 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -60.0 -44.13 94.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.3 pt-20 -42.81 -37.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.457 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 4.3 t80 -81.13 -32.88 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.583 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 6.0 mm -59.8 -65.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.7 t -46.1 -49.13 16.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -50.53 -53.29 31.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.4 OUTLIER -78.7 175.47 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 4.2 ptp180 44.99 -169.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.62 97.95 2.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.6 m -42.44 144.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.52 121.63 7.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.41 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.797 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.1 t -144.05 171.58 14.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.1 t -105.1 -59.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.927 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.46 162.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.35 81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.79 -162.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.79 -54.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m 61.37 159.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.67 -92.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 127.49 10.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 159.64 14.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 112.23 7.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.09 168.7 24.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -164.99 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.793 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.8 mtm -153.24 160.57 42.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 57' ' ' LYS . 68.3 m-20 61.54 -80.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 13' ' ' MET . . . 162.77 -27.22 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.3 -44.01 76.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -57.2 -30.01 64.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -65.97 -60.82 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.131 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 27.9 t80 -55.81 -44.57 77.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.6 m -54.25 -59.51 4.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -45.41 -34.03 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -64.77 -44.18 90.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.131 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mt -70.15 -19.32 63.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -86.46 -27.4 24.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.66 -21.83 17.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 88.5 m-20 -75.78 -60.54 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.03 28.53 6.49 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.35 -18.38 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -125.86 40.03 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -91.22 8.7 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -91.79 -8.16 47.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -129.93 166.92 22.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.06 40.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.585 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.1 tm? -45.7 -58.45 3.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' LEU . 47.8 tptt -38.28 -31.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.563 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.0 mt-10 -92.32 -45.85 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -43.22 -61.37 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 110.341 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.819 ' HA ' HD12 ' A' ' 41' ' ' ILE . 3.9 mmt -49.17 -69.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.563 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.8 p -42.21 -50.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 4.1 tp10 -52.05 -43.78 63.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.819 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.8 mt -58.94 -59.68 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.62 -31.85 0.09 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.41 -55.02 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.953 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -56.51 -41.54 76.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.901 ' CE3' HD11 ' A' ' 48' ' ' ILE . 44.6 t-105 -66.06 -31.7 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -76.58 -10.92 59.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -89.07 -52.38 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.901 HD11 ' CE3' ' A' ' 45' ' ' TRP . 16.9 pt -41.99 162.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.51 -172.24 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' SER . 11.7 tp60 -59.01 -52.15 67.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLN . 40.9 t -38.36 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' HIS . 1.3 mp0 -42.53 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 16.6 mttp -39.22 -50.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -46.99 79.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' GLN . 77.7 t60 -58.02 -61.59 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.91 -33.98 65.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 14' ' ' ASN . 5.8 ttpt -69.04 -42.56 76.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.47 -46.1 81.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 78.6 mt -57.9 -44.49 86.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.65 -73.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 19.4 pt-20 -41.43 -40.4 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 2.4 tt0 -63.66 -50.1 70.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -43.81 44.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -71.85 -19.39 61.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' GLU . 13.0 ttt180 -83.51 -35.14 25.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 19.2 mt-30 -84.49 -42.43 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.7 t80 -50.81 -20.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.86 -59.13 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.9 m -58.02 -40.48 76.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 23.8 m170 -42.54 -50.01 5.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 75' ' ' VAL . 65.9 mt -52.33 -48.95 65.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.3 -45.05 80.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 73' ' ' LEU . 4.7 mt -65.72 -42.0 91.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.973 ' CH2' HD11 ' A' ' 78' ' ' LEU . 8.0 t90 -63.59 -30.91 71.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 71' ' ' LEU . 49.5 t -69.35 -51.19 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.45 -23.6 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.3 t -88.21 -32.58 18.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.973 HD11 ' CH2' ' A' ' 74' ' ' TRP . 15.2 mt -50.04 124.64 10.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -49.88 179.41 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.99 -15.66 20.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -94.22 -52.05 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.23 -53.42 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.71 -44.15 85.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.03 40.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.79 -55.42 5.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.547 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 72.3 t80 -49.67 -60.83 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -44.74 76.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -31.98 4.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -89.84 -37.95 14.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.547 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 2.5 mm -57.34 -59.77 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 t -40.4 -44.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -98.12 67.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.77 -69.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -58.61 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -87.15 176.52 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 t -179.02 85.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -152.03 149.7 21.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -62.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.63 175.88 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.74 159.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.17 135.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.06 118.69 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.89 163.59 25.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.03 101.35 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -171.95 145.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.4 -100.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.67 10.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.73 143.0 27.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -57.07 109.55 1.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.01 173.58 14.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.449 1.763 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -74.99 166.11 29.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.415 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -116.59 -18.42 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.415 ' N ' ' HG3' ' A' ' 13' ' ' MET . 6.5 p30 -139.58 149.44 43.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.16 -43.51 7.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 20.8 t80 -53.18 -68.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' NE2' ' HG2' ' A' ' 13' ' ' MET . 10.6 mt-30 -42.86 -37.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 2.4 tptt -65.18 -58.3 6.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.974 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 2.3 t80 -55.17 -42.72 73.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.2 m -57.47 -57.46 12.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.17 -32.97 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -63.8 -43.29 96.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.974 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.6 mt -71.11 -27.4 63.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.95 -27.92 57.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.44 -22.6 17.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 82.8 m-20 -75.72 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.89 28.21 6.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.35 -17.97 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.681 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -126.7 37.6 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -2.78 51.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 44.8 p-80 -75.05 -16.66 60.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -122.57 168.33 12.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 160.52 39.84 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.602 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -40.88 -56.3 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LEU . 7.4 tptm -35.76 -68.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.4 mt-10 -52.48 -52.6 53.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -38.51 -62.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.597 ' HA ' HD12 ' A' ' 41' ' ' ILE . 8.9 mmt -46.78 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.514 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.9 p -47.39 -47.18 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -58.06 -39.79 79.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 38' ' ' MET . 23.9 mt -61.2 -55.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.74 3.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -52.9 47.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -55.96 -38.53 70.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.676 ' CE3' HD11 ' A' ' 48' ' ' ILE . 45.6 t-105 -66.52 -33.04 74.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -81.14 -9.42 59.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -90.75 -42.45 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.676 HD11 ' CE3' ' A' ' 45' ' ' TRP . 14.7 pt -51.44 -177.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.21 -179.53 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -54.14 -53.43 53.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.6 t -39.09 -49.1 1.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -63.97 -65.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 17.8 mttp -44.05 -48.37 8.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.64 -61.89 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.459 ' NE2' HD11 ' A' ' 59' ' ' LEU . 75.6 t60 -46.96 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -45.53 -44.99 13.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -58.0 -36.68 73.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -70.27 -50.75 36.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.459 HD11 ' NE2' ' A' ' 55' ' ' HIS . 48.3 mt -49.03 -52.72 23.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -39.99 -48.13 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.42 -49.5 67.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -50.51 -57.31 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.17 -43.27 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -71.05 -36.77 72.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 ttt85 -58.41 -44.88 89.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.02 -45.9 55.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 11.8 t80 -48.07 -49.54 31.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -25.46 61.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -87.17 -47.99 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -42.94 -48.45 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.613 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 74' ' ' TRP . 73.1 mt -45.37 -65.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.72 -45.83 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.94 -41.93 98.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.09 ' CH2' HD11 ' A' ' 78' ' ' LEU . 7.4 t90 -66.19 -34.77 78.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' LEU . 50.3 t -63.46 -52.9 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -50.2 -23.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.92 -31.2 20.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.09 HD11 ' CH2' ' A' ' 74' ' ' TRP . 22.8 mt -52.81 132.07 36.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.92 178.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -74.93 -15.87 20.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -94.24 -42.48 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -66.0 -59.02 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -48.36 50.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.93 -29.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 82' ' ' ASP . . . -83.76 -48.48 10.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 23.5 t80 -55.57 -60.17 3.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -39.1 71.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.462 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 0.5 OUTLIER -52.01 -38.09 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 5.6 t80 -80.51 -33.89 36.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.52 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 2.3 mm -57.62 -51.38 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 t -47.16 -49.02 23.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 16.5 p30 -92.18 59.39 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HD3' ' CE2' ' A' ' 89' ' ' TYR . 13.3 ttpp -150.05 -57.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.52 167.08 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tttp 58.7 174.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 t -114.15 -60.5 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 138.4 98.96 0.46 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.93 3.91 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.421 1.748 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.82 124.94 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 p -96.81 -57.56 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -155.66 106.58 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -115.41 -58.82 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.74 -152.26 21.43 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.69 -60.12 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.9 163.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.54 119.99 1.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HG2' HD12 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.99 130.7 13.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.89 157.51 18.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 114.78 38.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.417 ' CB ' ' HB3' ' A' ' 63' ' ' GLN . 18.3 Cg_endo -75.01 173.84 13.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -168.22 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 15' ' ' GLY . 6.4 mtm -157.48 159.22 37.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 2.7 m-20 66.53 -73.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . 159.13 -31.03 0.44 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.545 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 6.7 t80 -64.85 -45.78 84.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -62.35 -25.84 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -67.99 -61.1 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.093 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 10.7 t80 -54.05 -44.46 71.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 23' ' ' LEU . 60.6 m -50.83 -58.17 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -43.42 -35.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -61.42 -43.82 98.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.093 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.2 mt -69.15 -29.71 67.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.46 -27.92 59.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.367 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -19.86 19.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' GLU . 79.4 m-20 -78.11 -60.23 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.78 25.32 8.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.85 -17.61 60.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.495 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -123.67 40.05 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -89.16 9.31 26.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 50.7 p-80 -87.9 -21.04 25.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -123.12 165.54 21.85 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.3 Cg_endo -75.04 160.08 40.45 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 37' ' ' ARG . 4.6 tp -45.33 -56.94 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 5.3 tptm -39.86 -29.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 34' ' ' LEU . 4.4 mm-40 -94.94 -39.19 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' LEU . 82.7 mtt180 -53.86 -53.28 54.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.441 ' HA ' HD12 ' A' ' 41' ' ' ILE . 37.8 mmm -55.82 -15.23 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 1.6 t -91.06 -57.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.31 -40.45 59.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.258 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.503 HG23 ' CD1' ' A' ' 23' ' ' LEU . 30.4 mt -57.52 -59.92 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.62 -36.08 0.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -70.33 -53.26 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -55.59 -43.57 76.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.724 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.1 t-105 -61.32 -30.38 70.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 107.965 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -82.83 -6.76 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' ILE . 27.5 mtp180 -95.57 -42.11 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.724 HD11 ' CE3' ' A' ' 45' ' ' TRP . 19.7 pt -50.12 179.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -115.67 176.72 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -51.23 -52.68 42.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.6 t -39.84 -46.1 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -66.66 -63.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.581 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 35.4 mttt -46.86 -49.58 19.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.04 -60.9 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.418 ' NE2' HD11 ' A' ' 59' ' ' LEU . 78.7 t60 -47.74 -64.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.57 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -48.93 -41.1 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 14' ' ' ASN . 5.6 ttpt -62.51 -52.35 63.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.13 -48.57 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.444 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 87.2 mt -53.55 -56.53 16.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.52 -44.81 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.79 -47.48 77.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -57.45 -60.18 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -42.41 -39.7 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -75.2 -37.49 61.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' GLU . 6.2 ttt180 -55.06 -55.6 29.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.423 ' N ' ' HG2' ' A' ' 65' ' ' ARG . 3.4 mp0 -62.3 -47.61 83.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -46.27 -50.89 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -30.8 61.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 66' ' ' GLN . 15.8 t -82.82 -58.06 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -47.35 -50.72 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.508 HD12 ' HG2' ' A' ' 8' ' ' PRO . 12.7 tp -47.95 -43.28 29.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -43.24 80.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.94 -32.56 72.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.075 ' CH2' HD11 ' A' ' 78' ' ' LEU . 19.5 t90 -70.75 -29.55 65.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 71' ' ' LEU . 44.2 t -72.87 -47.87 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -53.19 -20.78 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.75 -27.86 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.075 HD11 ' CH2' ' A' ' 74' ' ' TRP . 13.0 mt -54.07 125.01 17.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.529 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -50.95 179.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.976 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.05 -17.02 19.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -94.12 -47.41 6.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.2 -52.68 64.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.429 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -58.61 -40.34 82.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.11 -33.47 26.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.78 -51.95 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CE1' HG13 ' A' ' 90' ' ' ILE . 22.7 t80 -52.16 -59.91 3.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -40.27 74.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -33.22 53.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.255 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -87.38 -28.96 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.559 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.5 mm -62.08 -65.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -40.05 -48.04 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.57 57.39 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -154.15 -52.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -66.18 -57.76 6.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.03 -68.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.01 166.7 13.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -132.65 109.34 0.83 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.8 29.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.1 m -117.14 -56.17 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.7 t 64.25 144.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p -172.52 133.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.08 140.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.045 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.03 120.32 1.43 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.38 111.97 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 0.0 110.047 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 179.71 159.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.36 -95.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.581 ' HG3' HD23 ' A' ' 71' ' ' LEU . 18.3 Cg_endo -75.0 147.09 33.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 147.44 45.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 107.67 0.9 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -74.99 165.84 30.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.63 2.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.435 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 7.1 mtp -156.12 148.45 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 13' ' ' MET . 8.4 m-80 74.77 -58.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 141.2 -43.23 1.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -57.19 -43.82 83.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -60.17 -30.79 69.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -61.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.038 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 3.4 t80 -50.99 -42.08 60.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 m -57.94 -56.48 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -47.15 -33.37 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.76 -43.08 97.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.038 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.9 -26.01 63.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.0 mt -79.82 -27.36 40.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.37 -20.92 18.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' GLU . 82.4 m-20 -76.64 -61.1 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.376 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' ND2' ' A' ' 30' ' ' ASN . . . 103.65 25.63 7.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.9 -18.64 60.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.79 40.47 3.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 27' ' ' GLY . 8.2 p30 -87.45 -2.35 58.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 40.3 p-80 -77.54 -26.72 51.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -108.16 166.79 10.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.99 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.582 HD13 ' C ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -46.95 -59.06 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 34' ' ' LEU . 14.5 tttm -33.75 -70.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.601 ' HB3' HD22 ' A' ' 32' ' ' LEU . 8.1 mt-10 -52.14 -52.64 50.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -38.52 -62.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.463 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.1 mmt -47.31 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.524 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.5 p -46.99 -47.54 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.57 -34.24 72.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 38' ' ' MET . 23.3 mt -69.69 -54.36 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.7 -38.91 7.85 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -54.33 33.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -55.16 -38.45 68.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.842 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.2 t-105 -63.76 -29.26 70.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 107.988 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -81.07 -1.8 45.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 48' ' ' ILE . 37.2 mtp85 -94.0 -51.98 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.842 HD11 ' CE3' ' A' ' 45' ' ' TRP . 18.9 pt -42.94 164.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.0 p -106.95 164.91 11.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' SER . 18.8 tp60 -39.07 -58.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' GLN . 9.1 t -38.57 -44.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' CB ' ' HB ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -65.39 -72.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.58 ' HG2' ' CH2' ' A' ' 45' ' ' TRP . 46.7 mttp -38.89 -43.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -56.92 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.468 ' NE2' HD11 ' A' ' 59' ' ' LEU . 77.7 t60 -47.92 -64.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -48.61 -57.77 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 14' ' ' ASN . 4.1 ttpp -47.54 -46.15 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -59.05 -56.6 20.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.468 HD11 ' NE2' ' A' ' 55' ' ' HIS . 47.4 mt -44.48 -56.93 3.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.2 -46.78 2.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -58.32 -45.87 87.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.1 tt0 -66.07 -42.38 89.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -50.95 66.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.09 -33.0 74.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -67.66 -44.54 77.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.497 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 33.7 mt-30 -69.08 -46.68 67.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 2.0 t80 -50.4 -22.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -72.83 -68.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 66' ' ' GLN . 3.1 m -49.45 -41.03 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.087 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 19.7 m170 -43.29 -56.69 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.596 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 75' ' ' VAL . 67.7 mt -46.08 -48.41 17.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -46.82 81.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 73' ' ' LEU . 5.8 mt -62.9 -43.66 98.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.364 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.098 ' CH2' HD11 ' A' ' 78' ' ' LEU . 8.6 t90 -64.73 -34.12 77.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.007 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 71' ' ' LEU . 40.7 t -64.13 -51.4 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -48.25 -25.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 75' ' ' VAL . 23.3 t -84.75 -36.1 21.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.098 HD11 ' CH2' ' A' ' 74' ' ' TRP . 20.0 mt -47.4 126.34 9.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.508 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -55.34 178.21 0.11 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.08 -14.08 21.06 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -94.13 -40.29 10.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.0 -57.38 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -38.15 49.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.48 -30.52 41.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -84.89 -61.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.512 ' CE1' HG13 ' A' ' 90' ' ' ILE . 21.4 t80 -37.51 -50.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -57.41 -47.29 82.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.4 pt-20 -38.89 -43.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.54 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 6.5 t80 -76.53 -38.75 54.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 86' ' ' TYR . 13.8 mm -54.11 -66.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 t -42.03 -57.82 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -42.71 -51.23 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.54 ' HD2' ' CE1' ' A' ' 89' ' ' TYR . 0.4 OUTLIER -87.31 -173.07 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER 47.46 -175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 147.69 43.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.3 t -144.83 -51.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.007 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -57.12 121.38 25.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -174.53 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.52 162.94 32.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.04 171.24 7.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.572 1.17 . . . . 0.0 111.05 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -144.94 120.3 10.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.6 120.14 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.46 145.73 5.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -175.44 127.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.99 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.5 m -86.79 83.73 7.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.85 -98.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.01 27.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 144.53 39.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 109.59 1.86 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.567 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.96 172.86 15.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 164.1 34.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -103.94 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -88.38 174.27 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.55 -31.49 76.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -62.46 -67.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -42.66 -29.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -70.65 -62.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.068 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 8.8 t80 -52.52 -44.6 65.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -57.41 -46.76 83.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -53.08 -35.07 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -64.18 -43.42 95.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.068 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.8 mt -69.62 -25.12 63.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.3 mt -81.55 -27.76 34.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 t -95.15 -20.33 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' GLU . 79.6 m-20 -76.79 -60.28 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.47 24.19 8.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.58 -23.82 62.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -125.48 40.15 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -89.4 2.13 54.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -84.44 -13.97 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.61 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -123.6 167.97 13.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.59 42.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' ARG . 5.1 tp -46.03 -56.2 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.475 ' O ' HG12 ' A' ' 39' ' ' VAL . 12.5 tptm -41.1 -29.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.527 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.5 mt-10 -93.76 -36.45 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' LEU . 73.1 mtt180 -56.74 -60.03 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.492 ' HA ' HD12 ' A' ' 41' ' ' ILE . 53.9 mmm -49.11 -67.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.603 HG13 ' H ' ' A' ' 40' ' ' GLU . 2.3 p -39.41 -60.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.603 ' H ' HG13 ' A' ' 39' ' ' VAL . 6.1 tp10 -49.42 -45.42 46.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 38' ' ' MET . 37.1 mt -57.45 -58.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.46 -29.92 0.27 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -56.17 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -51.55 -38.07 52.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.777 ' CE3' HD11 ' A' ' 48' ' ' ILE . 45.5 t-105 -69.08 -32.38 71.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -78.06 -2.32 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 10.6 mtp-105 -97.63 -51.56 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.777 HD11 ' CE3' ' A' ' 45' ' ' TRP . 23.9 pt -45.58 169.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.7 -179.19 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -51.47 -51.44 55.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -38.4 -68.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.526 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -43.93 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 42.1 mttp -38.55 -48.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.54 -52.11 66.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.63 ' NE2' HD11 ' A' ' 59' ' ' LEU . 69.8 t60 -54.64 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.483 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 14.2 m-85 -48.25 -53.85 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 9.5 ttpt -55.81 -31.08 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -73.6 -40.4 63.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.63 HD11 ' NE2' ' A' ' 55' ' ' HIS . 97.8 mt -69.47 -42.09 75.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.46 -34.18 23.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 1.4 mt-10 -73.02 -39.21 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -39.84 87.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -46.77 82.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -68.69 -31.43 70.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -67.37 -42.64 83.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.529 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 34.5 mt-30 -71.15 -45.16 64.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.5 t80 -51.95 -21.75 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -65.64 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 66' ' ' GLN . 2.3 m -53.11 -41.09 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 20.6 m170 -43.84 -53.6 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.589 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.834 ' O ' HG23 ' A' ' 75' ' ' VAL . 81.4 mt -48.39 -45.9 36.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -45.33 93.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 73' ' ' LEU . 4.8 mt -64.06 -40.06 95.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.871 ' CH2' HD11 ' A' ' 78' ' ' LEU . 9.2 t90 -68.13 -27.82 66.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 71' ' ' LEU . 47.2 t -72.66 -49.29 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -51.73 -23.65 4.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.6 m -87.1 -28.53 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.871 HD11 ' CH2' ' A' ' 74' ' ' TRP . 16.2 mt -57.29 123.78 16.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -53.35 179.67 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.08 -16.18 20.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -94.42 -39.78 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 1.2 m-20 -69.5 -55.09 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -43.26 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.78 -27.4 28.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -81.96 -55.25 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.523 ' CE1' HG13 ' A' ' 90' ' ' ILE . 1.8 t80 -43.55 -43.69 5.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -60.78 -38.15 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 2.6 pt-20 -47.04 -38.0 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.56 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -80.34 -22.99 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.523 HG13 ' CE1' ' A' ' 86' ' ' TYR . 1.8 mm -78.8 -44.02 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 t -86.33 47.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 40.6 p30 177.27 44.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.56 ' HD2' ' CE1' ' A' ' 89' ' ' TYR . 17.3 tttm -147.29 -62.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.98 -58.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 75.84 60.47 0.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.51 174.05 8.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.74 -144.98 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.45 174.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.5 m 66.42 118.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.5 97.55 3.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.019 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.7 86.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.87 -120.64 1.77 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.05 -57.15 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -106.44 -68.96 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.71 -70.37 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.443 1.089 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.76 23.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 173.77 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.15 116.46 66.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -163.07 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.44 ' CG ' ' NE2' ' A' ' 17' ' ' GLN . 2.9 ptp -150.01 -45.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' TYR . 66.7 m-80 -90.84 133.42 35.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -37.89 -29.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.148 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' ASN . 29.1 t80 -70.33 -64.4 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' NE2' ' CG ' ' A' ' 13' ' ' MET . 21.1 mt-30 -41.15 -33.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -69.17 -60.17 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.115 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 13.8 t80 -54.28 -43.77 71.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 21' ' ' GLN . 7.1 p -54.39 -63.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' N ' ' OG ' ' A' ' 20' ' ' SER . 6.4 tm0? -43.49 -32.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.75 -43.01 97.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.115 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mt -71.16 -34.21 70.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.0 mt -72.03 -26.3 62.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 t -95.52 -22.83 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' GLU . 76.4 m-20 -74.29 -59.41 2.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.85 26.5 7.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.8 -23.19 55.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.506 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -126.32 38.84 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.6 p30 -91.07 15.35 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 45.1 p-80 -96.0 -24.58 16.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -110.6 171.02 4.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.91 34.38 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.75 -56.16 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . 16.2 tptt -36.12 -70.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.3 mt-10 -51.28 -51.83 50.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.43 -63.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.648 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.4 mmt -46.6 -69.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.525 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.7 p -46.55 -48.68 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HB3' HD13 ' A' ' 29' ' ' LEU . 3.2 tp10 -55.62 -37.67 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 38' ' ' MET . 15.9 mt -66.48 -59.74 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.55 -38.22 0.98 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -55.81 15.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.029 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -55.22 -36.11 65.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.762 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.6 t-105 -71.72 -31.98 67.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -77.76 -16.39 58.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -81.35 -53.47 6.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.762 HD11 ' CE3' ' A' ' 45' ' ' TRP . 22.2 pt -44.56 167.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.3 -168.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 51' ' ' SER . 12.3 tp60 -62.76 -51.28 67.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 8.5 t -38.48 -67.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.437 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -45.8 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.574 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 11.3 mttp -38.85 -46.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.15 -55.38 35.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.456 ' NE2' HD11 ' A' ' 59' ' ' LEU . 63.8 t60 -51.78 -63.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -43.17 -51.58 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -53.95 -35.67 62.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -72.57 -36.04 68.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 47.4 mt -69.45 -41.87 75.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.36 -65.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 11.5 pt-20 -42.1 -45.32 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.495 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 5.9 tt0 -62.23 -53.96 47.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -44.25 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 13' ' ' MET . 39.7 mt-30 -69.92 -41.69 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.62 -48.63 66.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -69.28 -45.83 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 35.1 t80 -51.87 -62.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -47.28 -33.16 5.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.9 t -76.72 -56.44 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' LEU . 17.9 m170 -43.2 -55.62 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.568 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 75' ' ' VAL . 14.1 mt -41.75 -54.27 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.14 -43.12 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' HIS . 16.1 mt -63.61 -41.84 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.982 ' CH2' HD11 ' A' ' 78' ' ' LEU . 11.6 t90 -65.56 -30.41 71.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.002 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 71' ' ' LEU . 49.9 t -70.19 -38.23 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -64.61 -12.33 44.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.4 m -106.92 6.63 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.982 HD11 ' CH2' ' A' ' 74' ' ' TRP . 22.8 mt -88.89 143.0 27.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -66.21 178.79 0.56 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.5 Cg_endo -75.0 -17.09 19.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -91.36 -48.16 7.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -59.5 -60.96 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -47.1 38.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.47 -54.66 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -63.09 -67.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.529 ' CE2' HD11 ' A' ' 90' ' ' ILE . 87.0 t80 -36.02 -50.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -55.47 -49.73 71.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.4 pt-20 -39.21 -38.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -83.46 -40.63 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.529 HD11 ' CE2' ' A' ' 86' ' ' TYR . 10.0 mm -51.0 -65.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 t -41.64 -42.24 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 54.4 m-20 -93.04 55.6 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.9 -60.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -88.21 162.28 16.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -97.42 -62.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.6 m -156.03 169.79 23.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.65 -84.11 0.08 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.11 10.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.0 m -111.69 85.75 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.9 t -142.0 146.1 35.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.81 128.47 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 41.9 89.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.74 150.69 22.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p -149.37 110.39 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.71 92.95 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.52 -97.39 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.09 28.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -115.05 162.37 17.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 113.85 23.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HG3' ' CB ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 173.23 14.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.96 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 mmm -134.55 -70.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -82.49 167.61 18.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -62.52 -30.67 77.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -64.44 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -41.72 -30.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -71.99 -64.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.965 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 2.8 t80 -50.67 -46.83 58.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -53.0 -52.59 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.31 -32.66 11.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -63.32 -42.28 98.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.965 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.0 mt -72.23 -30.94 65.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.61 -26.9 61.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.4 t -95.54 -21.7 18.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 77.1 m-20 -75.77 -61.08 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.22 23.79 8.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.45 -21.59 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.563 HD13 ' HB3' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -125.61 35.69 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.22 2.02 45.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 44.5 p-80 -81.41 -22.57 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -113.71 166.5 11.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.4 Cg_endo -75.04 157.56 42.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.643 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.3 tm? -38.78 -56.34 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -35.96 -70.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -50.2 -51.27 45.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 2.5 mtm180 -40.25 -67.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.3 mmt -39.8 -32.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 35' ' ' LYS . 1.7 t -77.16 -61.06 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.563 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.2 tp10 -48.04 -36.58 13.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.48 HG13 ' CD1' ' A' ' 29' ' ' LEU . 40.9 mt -66.45 -58.88 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.13 -44.64 7.63 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -52.58 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -58.1 -42.2 85.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 43.2 t-105 -66.52 -31.89 72.9 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.19 -9.03 59.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -87.92 -56.48 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.887 HD12 ' HB3' ' A' ' 52' ' ' GLN . 22.9 pt -44.65 167.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -170.34 1.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' SER . 15.0 tp60 -59.56 -53.55 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' GLN . 14.7 t -36.71 -59.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.887 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -50.58 -71.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 21.0 mttt -39.13 -45.19 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.22 -59.52 5.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.705 ' NE2' HD11 ' A' ' 59' ' ' LEU . 70.1 t60 -44.85 -64.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 16.9 m-85 -48.69 -50.2 34.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 13.5 ttpp -57.19 -29.64 63.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -76.31 -38.88 55.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.705 HD11 ' NE2' ' A' ' 55' ' ' HIS . 82.9 mt -70.6 -44.66 66.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.16 -35.11 6.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -72.13 -34.46 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -69.47 -37.49 77.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -51.3 70.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.453 ' O ' ' CG ' ' A' ' 68' ' ' LYS . 30.7 mt-30 -65.13 -25.47 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.347 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -73.63 -44.28 57.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.603 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 32.3 mt-30 -68.59 -47.24 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.443 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . 4.9 t80 -56.97 -24.29 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 64' ' ' GLN . 29.7 mmtt -71.37 -63.01 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -57.57 -44.23 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 20.8 m170 -41.82 -55.4 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.606 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.1 mt -46.24 -49.65 16.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -43.29 78.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 73' ' ' LEU . 4.3 mt -65.62 -38.9 90.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.695 ' CH2' HD11 ' A' ' 78' ' ' LEU . 7.0 t90 -66.19 -29.16 69.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 71' ' ' LEU . 47.7 t -71.44 -39.11 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -63.67 -14.15 49.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -103.56 10.1 37.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.695 HD11 ' CH2' ' A' ' 74' ' ' TRP . 34.2 mt -95.22 139.92 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.557 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -63.56 -179.02 0.25 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.03 -15.9 20.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 39.4 tt0 -93.98 -51.03 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.78 -55.16 37.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.45 ' HG3' HG13 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -55.48 -41.28 72.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -50.31 -54.68 19.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -59.39 -66.32 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.592 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 87.5 t80 -37.63 -51.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -45.81 71.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 pt-20 -43.8 -39.03 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.453 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 22.0 t80 -81.47 -40.91 22.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.592 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 19.8 mm -49.46 -66.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.7 t -42.58 -42.35 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 80.2 m-20 -90.66 59.33 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' HD3' ' CE2' ' A' ' 89' ' ' TYR . 7.2 tttp -164.48 -60.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.4 169.35 18.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -86.11 138.17 32.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.5 p -120.39 159.21 25.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -109.0 147.96 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.434 1.084 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.49 2.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.84 156.96 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.8 t -152.59 104.67 2.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 p -159.66 143.45 14.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.34 158.02 35.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.054 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.07 152.88 5.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 75.37 -69.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.02 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -146.68 126.7 13.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.77 -75.13 1.29 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 154.33 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 115.29 33.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.469 ' CG ' ' HA ' ' A' ' 64' ' ' GLN . 18.3 Cg_endo -74.96 173.27 14.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.446 1.761 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -170.95 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.48 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -159.58 146.2 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 5.0 m-20 81.52 -65.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . 150.41 -34.93 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.489 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 10.2 t80 -60.74 -44.46 96.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -66.0 -26.06 67.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -67.26 -56.77 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.07 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 11.8 t80 -60.0 -40.61 89.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' LEU . 29.2 m -55.14 -59.32 4.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -42.67 -35.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -62.54 -43.45 98.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.07 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.0 mt -69.57 -26.45 64.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.28 -28.15 47.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -95.52 -20.62 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 81.8 m-20 -76.85 -60.52 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.2 28.28 6.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.83 -17.55 59.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 0.803 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.641 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -128.73 40.49 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.37 2.41 56.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 35.3 p-80 -83.7 -24.46 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.649 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -108.16 172.29 3.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.2 Cg_endo -74.97 153.39 41.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -43.03 -56.16 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' HG12 ' A' ' 39' ' ' VAL . 22.9 tptt -40.01 -39.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 4.2 mt-10 -77.82 -47.54 18.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -39.52 -63.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.231 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.721 ' HA ' HD12 ' A' ' 41' ' ' ILE . 9.6 mmt -46.88 -69.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.536 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.6 p -46.17 -49.15 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' A' ' 29' ' ' LEU . 5.1 tp10 -52.94 -40.3 63.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 38' ' ' MET . 13.0 mt -63.81 -60.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.49 -31.42 0.07 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.52 -54.05 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ILE . 3.4 mtp85 -55.86 -40.41 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.722 ' CE3' HD11 ' A' ' 48' ' ' ILE . 41.5 t-105 -62.29 -31.54 72.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 107.988 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -80.97 -7.33 59.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.4 mtp85 -93.4 -43.68 8.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.722 HD11 ' CE3' ' A' ' 45' ' ' TRP . 19.0 pt -50.53 -179.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m -118.32 179.68 4.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -52.52 -53.48 45.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.0 t -38.98 -46.27 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -66.96 -62.91 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.537 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 89.6 mttt -46.63 -45.03 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.6 -60.72 2.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.453 ' NE2' HD11 ' A' ' 59' ' ' LEU . 77.4 t60 -49.16 -63.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -49.75 -42.34 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' ASN . 2.2 ttpp -61.09 -45.79 93.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.36 -52.04 66.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.453 HD11 ' NE2' ' A' ' 55' ' ' HIS . 51.9 mt -49.11 -53.33 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' A' ' 64' ' ' GLN . . . -43.51 -40.86 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 61' ' ' GLU . 2.2 mm-40 -63.16 -42.01 99.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -71.65 -42.84 67.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -44.55 81.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.469 ' HA ' ' CG ' ' A' ' 11' ' ' PRO . 25.0 mt-30 -69.66 -41.14 75.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -45.96 52.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.0 -52.92 63.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.263 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CZ ' HD22 ' A' ' 71' ' ' LEU . 68.2 t80 -52.71 -60.33 3.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' TYR . 29.5 mmmt -40.28 -29.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.453 ' N ' ' C ' ' A' ' 67' ' ' TYR . 57.3 t -88.91 -65.03 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -39.89 -40.45 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.575 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.51 HD22 ' CZ ' ' A' ' 67' ' ' TYR . 13.3 tp -58.31 -52.54 65.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -59.79 -42.12 92.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.9 mt -59.43 -38.5 80.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.913 ' CH2' HD11 ' A' ' 78' ' ' LEU . 13.3 t90 -62.83 -27.49 69.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.463 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 94.2 t -81.03 -31.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -71.12 -4.59 26.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.9 t -114.61 -9.04 12.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.913 HD11 ' CH2' ' A' ' 74' ' ' TRP . 14.0 mt -74.01 128.97 36.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' ' 83' ' ' ARG . 0.3 OUTLIER -47.53 175.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 -9.23 20.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.544 1.813 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -94.06 -56.89 2.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.82 -59.3 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.504 ' CZ ' ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -48.54 -50.94 30.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' PRO . . . -44.28 -42.31 6.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -71.45 -64.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.911 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 50.6 t80 -37.71 -48.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.3 OUTLIER -55.43 -48.31 74.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.1 pt-20 -38.69 -39.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.454 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 8.2 t80 -82.0 -38.4 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 7.1 mm -55.17 -62.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t -45.67 -58.77 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -40.87 -53.78 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.454 ' HD3' ' CE1' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -83.58 -170.05 2.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 93' ' ' LYS . 3.2 mmp_? 47.11 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 mttt 61.06 149.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.9 m -176.01 96.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -155.66 174.27 33.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.462 1.769 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.66 144.02 33.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.9 p -120.03 161.21 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.432 1.082 . . . . 0.0 110.999 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.55 165.99 34.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 t -176.85 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.96 -175.25 30.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.1 p 176.79 -56.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -165.55 172.32 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.91 124.59 2.38 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.28 41.64 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 117.7 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 115.63 1.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HB3' ' NE2' ' A' ' 63' ' ' GLN . 18.2 Cg_endo -75.02 172.57 16.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.08 -166.06 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 mmm -126.5 -72.42 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -86.99 177.31 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.97 -33.34 74.53 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 22.8 t80 -62.24 -66.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -43.87 -29.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 7.2 tptt -70.11 -60.74 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.166 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 15.5 t80 -54.84 -45.74 74.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.4 m -52.07 -58.41 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -45.43 -34.64 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -63.44 -43.15 98.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.166 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.9 mt -69.59 -28.44 65.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.59 -28.01 56.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.19 -21.52 18.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' GLU . 80.1 m-20 -76.35 -62.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.94 27.24 7.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -20.23 61.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 0.776 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -127.63 38.91 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -84.48 1.6 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 45.4 p-80 -79.43 -26.63 41.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.558 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -111.17 169.66 6.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 162.45 36.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.12 -55.81 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -36.1 -68.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -52.37 -52.32 54.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -38.73 -63.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.641 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.9 mmt -46.24 -68.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.9 p -47.46 -47.73 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.403 ' HB3' HD13 ' A' ' 29' ' ' LEU . 5.6 tp10 -56.72 -41.52 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 38' ' ' MET . 20.6 mt -59.7 -55.44 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.05 -38.42 2.56 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -52.66 54.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -56.84 -40.63 76.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.614 ' CE3' HD11 ' A' ' 48' ' ' ILE . 35.3 t-105 -69.58 -32.36 71.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.03 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.44 -13.58 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' ILE . 1.0 OUTLIER -84.24 -58.03 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.835 HD12 ' HB3' ' A' ' 52' ' ' GLN . 20.7 pt -43.06 164.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.36 -170.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 51' ' ' SER . 34.6 tp60 -58.28 -56.5 21.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.1 t -33.16 -52.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.835 ' HB3' HD12 ' A' ' 48' ' ' ILE . 1.4 tp-100 -54.59 -57.67 10.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.561 ' HD2' ' CH2' ' A' ' 45' ' ' TRP . 6.8 mmtm -50.3 -43.38 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.77 -55.38 20.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.676 ' NE2' HD11 ' A' ' 59' ' ' LEU . 67.1 t60 -48.16 -67.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.52 ' HA ' HD12 ' A' ' 59' ' ' LEU . 11.8 m-85 -51.84 -59.17 4.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 53' ' ' LYS . 12.5 ttpt -46.45 -40.19 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.26 -57.75 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.676 HD11 ' NE2' ' A' ' 55' ' ' HIS . 12.3 mt -45.83 -48.35 15.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.41 -45.89 18.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.62 -32.36 70.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -75.72 -43.46 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -56.56 -43.25 79.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -74.13 -16.33 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -81.46 -37.13 28.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.422 ' HB3' ' NE2' ' A' ' 70' ' ' HIS . 27.7 mt-30 -76.97 -45.11 28.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -52.51 -19.96 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -71.8 -54.23 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 70' ' ' HIS . 1.3 m -66.72 -46.75 84.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.443 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 28.7 m170 -40.01 -54.53 2.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 75' ' ' VAL . 20.6 mt -48.55 -49.64 35.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -44.98 86.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 73' ' ' LEU . 6.2 mt -64.33 -36.34 83.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.069 ' CH2' HD11 ' A' ' 78' ' ' LEU . 12.1 t90 -69.91 -28.19 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 107.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 71' ' ' LEU . 40.5 t -72.34 -50.01 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -49.07 -25.04 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -87.51 -36.6 17.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.069 HD11 ' CH2' ' A' ' 74' ' ' TRP . 19.7 mt -44.41 126.42 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -54.43 178.31 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.4 Cg_endo -74.99 -15.61 20.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.562 1.822 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -93.3 -39.53 10.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -70.61 -54.76 10.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -40.17 69.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.03 -28.66 58.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -87.47 -61.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.984 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 44.4 t80 -37.86 -46.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -56.51 -48.57 76.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.3 pt-20 -39.6 -38.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.452 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 5.1 t80 -82.55 -38.0 24.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.984 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 4.9 mm -56.81 -59.35 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.2 t -42.73 -62.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -42.25 -54.42 3.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HD3' ' CE1' ' A' ' 89' ' ' TYR . 0.6 OUTLIER -86.56 -167.84 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.97 171.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -149.96 91.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -113.15 173.93 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -164.74 154.26 24.98 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 163.14 35.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.3 p 178.59 144.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.944 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.4 p -87.0 115.63 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.03 135.21 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -50.5 105.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.46 -76.55 0.94 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.37 -60.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -109.19 174.26 5.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.73 108.94 2.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.7 24.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' LYS . 11.3 mttt -99.19 113.7 26.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -40.07 105.28 0.36 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.46 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.21 18.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.4 ptm -138.69 35.89 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -173.85 138.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.86 -48.45 6.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.532 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 19.3 t80 -57.06 -62.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -48.75 -29.27 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 60' ' ' ALA . 6.0 tptt -73.25 -65.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.92 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 16.5 t80 -46.58 -45.73 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 23' ' ' LEU . 66.9 m -52.29 -59.32 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -43.58 -33.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -63.48 -42.87 98.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.92 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 3.9 mt -70.17 -26.85 64.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.7 mt -79.29 -27.42 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -95.49 -21.07 18.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' GLU . 78.2 m-20 -75.96 -58.95 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.92 26.8 7.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -20.42 58.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.625 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -126.04 39.15 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -93.88 19.91 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -105.44 -19.9 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -115.48 170.35 5.73 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.81 38.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.59 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -48.3 -58.85 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.624 ' O ' HG12 ' A' ' 39' ' ' VAL . 17.0 tttt -38.62 -31.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' O ' HG13 ' A' ' 39' ' ' VAL . 1.5 mt-10 -89.5 -44.62 10.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' LEU . 57.3 mtt180 -47.27 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.644 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.1 mmt -45.18 -69.19 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 35' ' ' LYS . 2.7 p -41.81 -54.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.456 ' H ' HG13 ' A' ' 39' ' ' VAL . 9.4 tp10 -50.7 -40.77 54.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 38' ' ' MET . 30.5 mt -64.16 -60.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.86 -30.69 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.54 -51.92 15.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.006 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' ILE . 10.8 mtp180 -57.55 -40.5 79.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.79 ' CE3' HD11 ' A' ' 48' ' ' ILE . 45.0 t-105 -61.96 -30.55 71.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 107.985 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -77.47 -16.94 58.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' ILE . 43.9 mtp180 -80.03 -52.45 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.79 HD11 ' CE3' ' A' ' 45' ' ' TRP . 19.1 pt -44.34 167.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.7 m -111.13 173.21 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 51' ' ' SER . 23.4 tp60 -44.7 -59.08 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' GLN . 9.2 t -38.39 -39.96 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' CB ' ' HB ' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -72.26 -72.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.556 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 30.5 mttt -39.47 -38.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.43 -54.97 18.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.729 ' CE1' HD21 ' A' ' 59' ' ' LEU . 50.3 t60 -50.0 -68.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.522 ' HA ' HD23 ' A' ' 59' ' ' LEU . 11.4 m-85 -44.32 -43.54 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.46 -29.56 50.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.772 ' HD2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.73 -44.19 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.772 HD22 ' HD2' ' A' ' 58' ' ' LYS . 2.4 mm? -49.18 -60.98 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -37.72 -45.4 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.05 -50.67 68.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -52.56 -58.81 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -47.21 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -66.99 -35.59 80.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -61.67 -39.45 91.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.4 ' O ' HG22 ' A' ' 69' ' ' VAL . 41.5 mt-30 -75.12 -45.22 42.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.1 t80 -55.43 -19.0 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -69.89 -54.44 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.41 ' H ' HG13 ' A' ' 69' ' ' VAL . 1.2 m -66.66 -43.42 90.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.4 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 28.5 m170 -46.11 -52.54 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 75' ' ' VAL . 6.7 tp -48.34 -39.5 22.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -37.68 65.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.28 -35.94 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.99 ' CH2' HD11 ' A' ' 78' ' ' LEU . 14.9 t90 -69.01 -29.14 67.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 71' ' ' LEU . 35.4 t -72.3 -48.61 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -51.55 -23.22 3.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -88.1 -32.45 18.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.928 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.99 HD11 ' CH2' ' A' ' 74' ' ' TRP . 34.0 mt -49.57 135.42 18.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -65.05 179.37 0.41 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.01 -13.55 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -94.04 -42.69 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.54 -57.76 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -35.58 30.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.93 -31.97 65.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -81.79 -61.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.551 ' CE1' HD11 ' A' ' 90' ' ' ILE . 4.1 t80 -39.74 -48.36 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -44.01 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 1.6 pt-20 -46.74 -36.14 6.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.496 ' CZ ' ' HG3' ' A' ' 93' ' ' LYS . 6.0 t80 -79.46 -34.53 41.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.551 HD11 ' CE1' ' A' ' 86' ' ' TYR . 4.4 mm -54.95 -58.41 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ILE . 4.1 t -38.85 -46.84 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 11.6 p30 -96.76 61.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -174.31 -63.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.56 166.29 16.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 142.49 30.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m -153.67 131.76 11.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 139.63 179.7 17.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 106.48 2.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.89 -59.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.1 t -105.71 160.23 15.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -162.54 -60.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -87.66 141.42 28.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.14 119.8 4.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.6 -60.19 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.8 m -144.96 171.97 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.58 -83.61 1.51 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 162.11 37.7 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.69 136.06 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 105.57 0.49 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.558 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.98 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.0 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.564 1.823 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.7 mmm -134.65 -65.34 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -92.04 173.47 7.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.53 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -66.62 -34.2 86.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.551 1.157 . . . . 0.0 111.069 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.535 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 22.4 t80 -60.23 -62.12 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -47.74 -30.27 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -69.93 -62.0 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.17 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 28.6 t80 -50.74 -43.93 58.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' LEU . 74.9 m -54.42 -61.57 2.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.89 -32.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -67.23 -43.97 80.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.17 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.1 mt -71.54 -29.15 64.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.1 mt -75.75 -27.61 58.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -95.38 -20.74 18.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 76.1 m-20 -76.37 -60.36 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.32 29.35 6.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.89 -30.82 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.708 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -113.58 40.08 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.01 1.06 56.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 35.0 p-80 -82.13 -24.94 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -110.14 170.77 4.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.79 30.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.598 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -53.01 -56.1 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 39' ' ' VAL . 3.6 tptt -41.71 -28.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.8 mt-10 -90.1 -50.81 5.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -38.96 -64.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.8 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.5 mmt -46.28 -69.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.536 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.2 p -45.2 -49.18 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.57 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.7 tp10 -53.24 -43.34 67.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.364 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 38' ' ' MET . 15.7 mt -58.86 -59.95 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.77 -32.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -72.8 -53.8 10.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 110.032 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 41' ' ' ILE . 25.2 mtp180 -59.32 -30.72 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.559 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 46.0 t-105 -70.45 -33.06 70.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -82.06 -1.98 50.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' ILE . 38.2 mtp180 -90.75 -53.54 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.949 HD12 ' HB3' ' A' ' 52' ' ' GLN . 20.5 pt -47.94 174.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.0 m -106.69 -174.32 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' SER . 17.2 tp60 -54.86 -51.75 64.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLN . 10.6 t -36.57 -65.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.949 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -46.14 -71.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.559 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 14.1 mttt -39.57 -44.87 1.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.48 -63.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.819 ' CE1' HD21 ' A' ' 59' ' ' LEU . 11.1 t60 -43.95 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.629 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 9.6 m-85 -47.24 -40.07 15.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -63.54 -25.16 68.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.533 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -84.75 -47.61 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.819 HD21 ' CE1' ' A' ' 55' ' ' HIS . 2.9 mm? -51.81 -53.01 44.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.66 -41.41 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.71 -42.63 95.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -65.91 -42.74 89.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -46.9 79.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -70.93 -23.16 62.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -73.03 -39.72 65.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -74.4 -45.55 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.558 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.1 t80 -53.39 -20.82 4.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 111.02 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -57.07 5.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.98 -40.84 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -48.26 -42.78 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' HA ' HD12 ' A' ' 71' ' ' LEU . 6.4 tp -58.63 -40.03 82.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -39.05 70.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt -60.86 -35.38 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.046 ' CH2' HD11 ' A' ' 78' ' ' LEU . 14.5 t90 -71.7 -28.15 63.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 108.031 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 71' ' ' LEU . 30.4 t -74.7 -42.76 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -56.57 -18.97 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.6 m -95.95 -23.63 16.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.046 HD11 ' CH2' ' A' ' 74' ' ' TRP . 15.5 mt -57.51 125.67 23.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -54.76 178.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -14.89 20.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -94.09 -37.93 11.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.89 -54.71 9.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -38.74 66.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.85 -29.17 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -84.88 -60.9 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.487 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 4.5 t80 -38.43 -45.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -60.37 -47.67 85.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.7 pt-20 -39.75 -39.89 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 12.8 t80 -77.23 -39.29 49.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.487 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 16.5 mm -51.14 -66.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.32 -59.45 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -45.36 -48.96 13.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -55.2 36.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -42.8 -47.73 5.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -166.51 -74.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.8 p -149.3 158.1 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.959 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.82 88.78 0.09 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 170.81 19.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.36 112.85 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.6 t 44.53 81.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -125.65 -64.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m 61.97 93.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.35 -90.02 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.06 89.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 p 178.9 147.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.952 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.79 -119.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.99 150.95 38.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -119.8 136.45 54.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 100.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 173.45 14.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.463 ' CG ' ' HB2' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.0 151.92 40.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.2 ptm -143.22 64.58 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 171.3 -53.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.06 -41.56 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.513 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 12.2 t80 -68.39 -40.27 81.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -67.39 -25.09 65.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HB2' ' CG ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -67.86 -61.09 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.134 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 16.9 t80 -54.9 -39.45 68.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 m -58.26 -56.13 26.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -48.8 -32.28 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -65.93 -41.32 91.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.134 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.7 mt -72.1 -26.12 62.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.4 mt -78.39 -27.23 46.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.4 -20.91 18.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.957 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 80.3 m-20 -76.28 -60.82 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.29 28.01 7.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.65 -23.52 58.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -124.1 39.19 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -86.34 1.77 49.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 39.6 p-80 -80.37 -23.14 40.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -114.49 169.36 6.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.04 30.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -45.69 -56.09 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -35.89 -68.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.515 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -52.52 -53.31 47.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' GLU . 1.1 mtm180 -37.8 -62.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.64 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.4 mmt -46.91 -68.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.515 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.7 p -47.4 -47.83 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.7 tp10 -55.79 -40.71 73.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 38' ' ' MET . 18.6 mt -61.68 -57.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -41.41 -39.93 2.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -51.15 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 0.757 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 14.1 mtp180 -59.01 -45.8 89.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.772 ' CE3' HD11 ' A' ' 48' ' ' ILE . 35.8 t-105 -59.11 -29.23 67.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.033 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -77.19 -12.95 60.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' CD ' ' HA ' ' A' ' 44' ' ' ARG . 0.4 OUTLIER -88.62 -52.08 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.772 HD11 ' CE3' ' A' ' 45' ' ' TRP . 15.0 pt -40.76 160.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.89 164.77 12.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -41.29 -55.04 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 t -39.19 -44.73 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.56 ' NE2' HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -61.32 -72.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.578 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 33.1 mttp -42.86 -38.92 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.12 -57.51 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.852 ' CE1' HD21 ' A' ' 59' ' ' LEU . 10.7 t60 -52.76 -66.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.586 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.573 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 10.3 m-85 -45.62 -33.13 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -69.98 -31.6 69.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -77.41 -44.11 30.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.852 HD21 ' CE1' ' A' ' 55' ' ' HIS . 2.7 mm? -51.99 -49.43 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.33 -41.85 9.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.05 -39.02 93.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.35 -42.47 54.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -60.39 -48.1 83.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -69.16 -19.91 64.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -75.85 -45.64 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.416 ' HB3' ' NE2' ' A' ' 70' ' ' HIS . 70.9 mt-30 -70.82 -45.55 64.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.518 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.4 t80 -52.23 -22.86 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -68.77 -58.89 3.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' H ' HG13 ' A' ' 69' ' ' VAL . 1.7 m -63.22 -40.77 90.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 66' ' ' GLN . 21.2 m170 -46.34 -51.33 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.621 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.0 tp -50.06 -41.66 48.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.99 -38.9 79.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.526 HD22 ' HE3' ' A' ' 76' ' ' LYS . 8.1 mt -62.18 -40.8 97.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.97 ' CH2' HD11 ' A' ' 78' ' ' LEU . 20.6 t90 -67.35 -25.26 65.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' LEU . 34.3 t -78.41 -40.87 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.526 ' HE3' HD22 ' A' ' 73' ' ' LEU . 5.1 mtmt -56.9 -20.17 21.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -94.91 -29.48 14.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.97 HD11 ' CH2' ' A' ' 74' ' ' TRP . 14.2 mt -49.32 124.72 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -53.91 178.57 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -74.99 -15.85 20.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -93.14 -39.35 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -69.7 -56.4 7.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -40.3 62.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.97 -25.58 30.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -90.83 -60.67 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.929 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 3.0 t80 -39.59 -45.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -58.47 -46.18 87.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.6 pt-20 -41.34 -38.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 7.9 t80 -80.05 -35.86 36.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.929 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 6.2 mm -52.41 -64.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.6 t -42.67 -55.33 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -52.55 -50.27 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -84.27 -169.66 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 39.1 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.92 112.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 m -52.53 160.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -145.19 -174.25 17.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 179.09 6.41 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.29 167.17 31.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 m -100.15 170.29 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 t -88.33 86.56 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.01 112.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.55 161.43 21.29 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -169.33 -59.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.972 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -76.14 151.56 36.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.37 -80.55 1.47 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.28 35.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.62 123.95 51.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 109.87 0.64 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.465 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.94 170.06 21.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.12 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -151.14 154.79 37.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 61.24 -81.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . . . 168.96 -30.5 0.16 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -67.52 -38.71 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 13' ' ' MET . 20.3 mt-30 -65.43 -29.54 70.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -65.49 -63.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.17 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 23.5 t80 -53.58 -43.7 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' LEU . 56.5 m -54.86 -62.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -42.67 -33.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -65.76 -44.6 85.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.17 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mt -69.6 -27.08 64.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 mt -78.68 -27.51 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 t -95.36 -20.28 19.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' GLU . 82.0 m-20 -77.73 -62.23 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.03 27.28 6.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.64 -16.83 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -127.68 39.37 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.58 -1.12 57.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 38.6 p-80 -78.82 -24.56 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -110.26 170.54 5.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.2 Cg_endo -75.05 151.28 39.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.769 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -40.8 -56.28 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.5 tptt -38.89 -41.45 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.2 mt-10 -76.89 -48.85 17.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HD2' HD22 ' A' ' 34' ' ' LEU . 2.9 mtt180 -38.18 -62.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.754 ' HA ' HD12 ' A' ' 41' ' ' ILE . 8.7 mmt -46.96 -69.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.536 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.4 p -46.75 -48.16 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -54.26 -43.49 71.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.7 mt -58.07 -59.44 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.23 -32.92 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -72.27 -52.99 13.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' ILE . 18.8 mtp180 -60.54 -30.95 70.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.566 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 43.8 t-105 -70.02 -33.06 71.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.05 -1.75 55.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -89.78 -51.0 5.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.03 HD12 ' HB3' ' A' ' 52' ' ' GLN . 21.7 pt -50.74 179.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.2 m -113.1 -174.9 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' SER . 22.5 tp60 -55.24 -50.24 69.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.7 t -37.19 -58.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 1.03 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -53.28 -72.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.566 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 18.0 mttp -39.83 -41.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -60.56 -54.89 39.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.832 ' NE2' HD11 ' A' ' 59' ' ' LEU . 48.3 t60 -59.38 -66.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 7.8 m-85 -43.3 -25.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' O ' ' OE2' ' A' ' 61' ' ' GLU . 18.3 ttpt -88.55 -47.65 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.61 -29.81 70.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.832 HD11 ' NE2' ' A' ' 55' ' ' HIS . 47.9 mt -73.54 -44.96 56.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.69 -37.52 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 61' ' ' GLU . 5.5 mm-40 -66.68 -35.05 79.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.43 1.081 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -71.65 -39.56 70.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -45.99 87.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -72.43 -16.3 61.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -81.38 -38.02 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -78.86 -43.82 24.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.535 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -54.5 -19.88 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -70.31 -53.93 14.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -67.71 -41.37 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -48.16 -45.29 33.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.596 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.9 tp -56.16 -40.03 73.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -40.4 67.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.3 -37.53 77.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.059 ' CH2' HD11 ' A' ' 78' ' ' LEU . 19.4 t90 -67.74 -31.78 71.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 71' ' ' LEU . 49.8 t -72.7 -45.53 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -55.16 -19.58 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.79 -24.46 16.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.059 HD11 ' CH2' ' A' ' 74' ' ' TRP . 14.1 mt -56.8 126.22 25.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -52.05 179.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -74.98 -17.56 19.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.449 1.763 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 6.5 tt0 -92.01 -50.93 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -56.22 -56.18 24.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.366 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.41 ' HD2' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.11 -40.77 67.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -52.43 -27.47 16.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.44 -48.29 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.569 ' CE1' HG13 ' A' ' 90' ' ' ILE . 20.6 t80 -53.92 -59.41 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -40.06 75.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.28 -33.25 41.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -87.8 -28.31 21.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.6 mm -63.56 -65.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 t -42.14 -38.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -94.48 59.62 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -159.62 -59.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -78.05 -53.07 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.3 tttm 62.44 94.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.09 173.45 11.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -112.8 97.36 0.88 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.69 6.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m 69.4 115.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 63.1 p -179.34 102.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -166.22 -59.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -169.73 164.9 10.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.89 147.34 8.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t 61.85 110.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 0.769 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 p 171.1 122.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.033 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.37 -93.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 147.26 33.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -117.69 133.55 55.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.65 107.35 0.77 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -177.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -155.28 139.32 16.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 13' ' ' MET . 4.6 m-20 82.58 -62.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.56 -33.54 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -66.25 -39.49 89.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 13' ' ' MET . 29.5 mt-30 -67.07 -25.0 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -60.63 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.191 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 19.6 t80 -58.42 -41.67 85.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LEU . 23.0 m -54.64 -62.68 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -43.32 -35.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -62.58 -43.91 97.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.191 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.98 -22.97 63.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -81.03 -28.75 35.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.23 -19.9 19.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 85.3 m-20 -77.56 -61.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.62 26.64 7.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.46 -18.94 61.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -126.79 37.05 4.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -87.31 -1.68 58.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 40.2 p-80 -77.05 -25.15 52.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.616 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -110.21 170.42 5.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 18.4 Cg_endo -74.97 156.95 43.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -44.29 -56.37 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' HG12 ' A' ' 39' ' ' VAL . 9.5 tptt -40.14 -34.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.523 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.4 mm-40 -83.83 -49.95 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' GLU . 4.3 mtt180 -38.07 -63.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.728 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.7 mmt -46.29 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.523 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.4 p -46.01 -48.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 29' ' ' LEU . 2.6 tp10 -54.56 -41.26 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 38' ' ' MET . 18.8 mt -61.53 -60.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.7 -32.08 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.16 -54.25 8.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.036 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ILE . 24.6 mtp180 -57.29 -36.43 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 44.4 t-105 -66.35 -33.12 75.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -84.15 -5.4 59.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -87.66 -51.42 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.993 HD12 ' HB3' ' A' ' 52' ' ' GLN . 16.3 pt -48.73 175.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.48 -171.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 51' ' ' SER . 21.9 tp60 -59.73 -51.81 68.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' GLN . 28.4 t -37.06 -57.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.993 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -53.09 -72.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 110.346 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 47.1 mttt -40.23 -39.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.19 -61.23 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.746 ' CD2' HD11 ' A' ' 59' ' ' LEU . 25.4 t60 -50.87 -68.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 8.1 m-85 -41.59 -27.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' HIS . 3.6 ttpp -83.85 -45.25 13.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.476 ' HD2' ' C ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -63.52 -40.99 98.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.746 HD11 ' CD2' ' A' ' 55' ' ' HIS . 77.9 mt -59.93 -46.63 88.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.502 ' HB3' ' OE2' ' A' ' 61' ' ' GLU . . . -49.83 -43.41 48.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.502 ' OE2' ' HB3' ' A' ' 60' ' ' ALA . 2.1 mm-40 -61.61 -36.81 81.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -44.65 63.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -40.0 77.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -78.44 -14.98 59.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -81.37 -37.12 28.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.412 ' O ' HG22 ' A' ' 69' ' ' VAL . 25.5 mt-30 -78.84 -42.67 26.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.3 t80 -53.74 -22.08 8.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -69.17 -52.13 31.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.1 m -69.95 -40.97 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -48.6 -38.89 22.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.6 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.2 tp -63.88 -38.92 92.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -47.95 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.1 mt -54.45 -34.7 61.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.824 ' CH2' HD11 ' A' ' 78' ' ' LEU . 19.2 t90 -69.42 -34.92 75.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 107.985 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 71' ' ' LEU . 42.1 t -68.97 -35.23 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -67.04 -15.22 63.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -101.8 7.63 41.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.824 HD11 ' CH2' ' A' ' 74' ' ' TRP . 25.4 mt -91.88 147.62 22.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.544 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -73.12 -179.82 0.96 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.02 -15.36 20.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.424 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 7.7 tt0 -93.63 -52.52 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -55.47 -56.57 18.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -45.86 71.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -44.32 -51.04 8.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -65.61 -61.92 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 90' ' ' ILE . 88.4 t80 -42.36 -50.43 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -36.84 69.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -52.57 -35.83 54.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -84.02 -38.81 20.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 86' ' ' TYR . 7.7 mm -51.29 -64.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 92' ' ' ASN . 48.2 t -49.1 -56.36 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 91' ' ' SER . 1.3 m-80 -40.02 -55.58 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -57.98 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -57.14 165.87 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -109.9 -64.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -154.58 169.23 24.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 137.2 84.74 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -116.76 170.33 8.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.0 -58.43 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.041 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -142.67 69.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -127.9 167.27 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.967 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.13 145.64 9.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -160.25 107.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m 173.19 158.09 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.78 -86.48 0.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.602 ' HG3' HD12 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -75.05 138.98 23.61 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' CE2' ' A' ' 67' ' ' TYR . 6.7 mttt -53.92 -176.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -133.96 78.82 58.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.8 13.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.3 mmm -127.8 -59.19 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -98.06 -177.54 3.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.04 -34.7 61.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.485 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 17.4 t80 -61.1 -64.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -46.97 -30.16 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -68.78 -60.84 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.087 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 10.6 t80 -54.86 -44.43 73.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' LEU . 38.8 m -55.39 -56.92 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -44.53 -34.54 2.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -64.34 -43.77 93.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.087 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -69.3 -24.78 63.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.2 mt -80.6 -27.55 37.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.58 -20.66 18.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 85.0 m-20 -77.56 -62.43 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.56 26.58 7.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.2 -17.62 61.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -128.23 37.22 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.99 0.45 48.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 43.4 p-80 -78.97 -21.49 47.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -116.02 169.51 6.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 161.77 38.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.612 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -43.24 -56.09 3.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 34' ' ' LEU . 13.7 tptt -36.08 -66.09 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -54.39 -53.32 55.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -37.95 -62.07 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.644 ' HA ' HD12 ' A' ' 41' ' ' ILE . 7.7 mmt -47.35 -68.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.513 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.7 p -47.54 -47.5 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.89 -37.81 69.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.7 mt -66.11 -55.51 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.36 -32.84 1.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -53.97 11.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -54.86 -43.7 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.739 ' CE3' HD11 ' A' ' 48' ' ' ILE . 37.0 t-105 -63.14 -27.5 69.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -81.97 -7.01 59.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' ILE . 13.6 mtp-105 -93.29 -46.31 7.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.739 HD11 ' CE3' ' A' ' 45' ' ' TRP . 26.3 pt -49.04 177.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.97 -174.82 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . 34.2 tp60 -55.92 -53.86 51.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -38.74 -46.3 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -66.08 -59.62 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 13.6 mttt -49.54 -44.18 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -60.38 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 59' ' ' LEU . 76.9 t60 -48.53 -65.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.414 ' HA ' HD12 ' A' ' 59' ' ' LEU . 21.2 m-85 -46.85 -53.8 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -51.99 -43.74 63.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -61.56 -55.1 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD11 ' NE2' ' A' ' 55' ' ' HIS . 51.4 mt -44.14 -53.37 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.02 -48.6 6.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -55.81 -40.07 72.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' LEU . 8.3 tp10 -69.73 -36.04 75.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.15 -50.16 72.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -68.23 -31.5 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.46 -44.17 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.43 ' O ' HG22 ' A' ' 69' ' ' VAL . 36.9 mt-30 -73.78 -44.79 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.6 t80 -55.02 -24.89 26.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -62.76 -54.04 45.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASP . 1.0 OUTLIER -67.47 -41.99 86.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -47.78 -38.02 14.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.559 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.602 HD12 ' HG3' ' A' ' 8' ' ' PRO . 12.7 tp -60.97 -35.77 77.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -76.95 -39.05 52.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mt -61.65 -31.42 71.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.999 ' CH2' HD11 ' A' ' 78' ' ' LEU . 13.9 t90 -71.71 -32.45 67.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 108.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.43 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 25.5 t -67.97 -50.1 62.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -51.43 -22.59 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.35 -31.55 20.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.961 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.999 HD11 ' CH2' ' A' ' 74' ' ' TRP . 44.1 mt -51.08 141.15 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -67.73 179.39 0.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.1 Cg_endo -75.02 -14.69 21.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -94.17 -41.96 9.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -68.72 -56.04 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -40.74 64.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.74 -27.12 38.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -88.66 -61.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CE1' HG13 ' A' ' 90' ' ' ILE . 4.2 t80 -38.88 -47.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -61.11 -44.93 96.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -42.42 -37.4 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.513 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 4.7 t80 -82.09 -33.31 29.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.573 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.4 mm -59.54 -65.33 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 t -41.63 -56.98 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.958 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -48.25 -50.49 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.513 ' HD3' ' CE1' ' A' ' 89' ' ' TYR . 1.3 mptm? -86.25 -168.3 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? 40.02 88.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.43 120.38 23.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 t -159.12 171.83 19.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -110.05 -172.84 20.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -179.06 4.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.9 t -161.14 178.38 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m 56.53 168.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.35 100.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.996 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.4 m -73.77 137.76 44.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.61 85.29 0.51 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -159.38 99.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.0 97.88 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.96 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.67 -98.1 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.79 10.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 158.71 15.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 112.89 11.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.59 16.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 179.18 6.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.422 ' HB2' ' NE2' ' A' ' 17' ' ' GLN . 5.7 mmm -121.37 -58.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -100.06 178.9 4.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.36 -42.82 48.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.536 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 25.4 t80 -59.09 -51.27 70.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 13' ' ' MET . 19.8 mt-30 -55.05 -29.57 57.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -69.47 -68.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.154 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 26.5 t80 -45.74 -42.24 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.8 m -54.75 -49.65 70.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -54.88 -33.9 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -64.54 -42.62 95.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.154 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.3 mt -71.16 -30.49 66.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -74.27 -27.03 60.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.64 -21.08 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 79.5 m-20 -76.32 -60.75 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.46 ' O ' ' ND2' ' A' ' 30' ' ' ASN . . . 103.24 25.6 7.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.8 mt-10 -77.98 -9.7 59.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -134.77 39.41 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 27' ' ' GLY . 12.9 p30 -89.31 4.53 48.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -85.19 -28.65 25.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.547 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD12 ' HG2' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -111.36 162.37 21.25 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 162.11 37.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.487 1.783 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.622 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.1 tm? -45.8 -57.89 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 10.6 tptm -39.48 -29.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' LEU . 7.4 mm-40 -94.36 -43.68 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.511 ' HG2' HD12 ' A' ' 32' ' ' LEU . 91.4 mtt180 -49.13 -54.31 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.572 ' HG3' HD11 ' A' ' 34' ' ' LEU . 2.9 mmt -54.89 -16.42 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 1.6 t -91.02 -58.73 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.24 -37.73 37.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.474 HG13 ' CD1' ' A' ' 29' ' ' LEU . 40.7 mt -62.65 -59.18 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.8 -33.99 0.46 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -55.63 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -55.46 -36.94 67.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.778 ' CE3' HD11 ' A' ' 48' ' ' ILE . 47.7 t-105 -66.02 -32.98 74.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.86 -13.47 60.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' ILE . 23.4 mtp85 -82.68 -59.41 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.778 HD11 ' CE3' ' A' ' 45' ' ' TRP . 15.4 pt -40.53 160.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 m -93.92 -175.53 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 10.0 tp60 -56.94 -54.66 44.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' GLN . 28.4 t -37.78 -64.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -46.47 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.625 ' HA ' ' CH2' ' A' ' 45' ' ' TRP . 4.1 mttm -41.62 -39.85 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.62 -56.0 16.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.986 ' CD2' HD11 ' A' ' 59' ' ' LEU . 50.9 t60 -53.15 -68.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.485 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 7.1 m-85 -38.47 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' HIS . 11.9 ttmt -83.15 -48.73 10.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -59.12 -33.73 71.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.986 HD11 ' CD2' ' A' ' 55' ' ' HIS . 79.2 mt -67.01 -45.23 78.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' HB3' ' OE2' ' A' ' 61' ' ' GLU . . . -48.8 -32.32 8.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' A' ' 57' ' ' LYS . 4.7 mm-40 -72.79 -33.43 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -77.18 -44.36 30.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -40.86 60.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -75.85 -21.12 57.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.24 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -77.67 -39.11 46.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.426 ' O ' HG22 ' A' ' 69' ' ' VAL . 72.9 mm-40 -76.4 -44.94 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.8 t80 -49.38 -25.17 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -51.53 50.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -69.15 -40.72 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -50.08 -38.65 39.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.55 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 tp -64.26 -35.81 82.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -35.28 54.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.06 -34.01 77.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.049 ' CH2' HD11 ' A' ' 78' ' ' LEU . 9.5 t90 -69.8 -28.49 65.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.54 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 19.3 t -72.55 -40.84 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -57.06 -21.17 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 -28.48 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.972 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.049 HD11 ' CH2' ' A' ' 74' ' ' TRP . 18.8 mt -52.09 124.96 14.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -53.77 178.39 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 -14.33 21.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.38 -41.38 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.36 -55.82 8.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -37.21 53.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.23 64.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -82.55 -63.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.616 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 4.7 t80 -38.43 -46.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -59.42 -47.18 86.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.0 pt-20 -40.8 -39.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.424 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 9.1 t80 -78.47 -36.99 44.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.616 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 9.4 mm -55.19 -65.37 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 t -49.77 -56.96 8.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -40.68 -56.61 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -59.2 5.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -39.71 -59.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -110.11 109.38 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.0 p -104.53 95.77 6.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.42 96.85 2.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 117.57 4.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.27 -58.63 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 t -84.69 162.59 19.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.019 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.95 135.53 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 110.043 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -174.14 114.57 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.47 154.71 9.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.24 112.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 0.782 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 t -178.98 145.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.6 -88.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.64 38.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -113.29 117.23 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.42 102.18 0.26 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' CG ' ' HD2' ' A' ' 18' ' ' LYS . 18.1 Cg_endo -75.04 -175.81 2.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.02 -64.26 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 16' ' ' TYR . 2.3 p30 -109.4 147.0 33.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 57' ' ' LYS . . . -40.4 -28.74 0.2 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.572 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 12.4 t80 -61.05 -64.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -51.88 -28.32 15.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' HD2' ' CG ' ' A' ' 12' ' ' PRO . 2.8 tttt -66.64 -61.32 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.011 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 4.5 t80 -57.87 -47.78 81.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.6 m -43.35 -49.54 6.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -32.26 34.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.1 tt0 -61.52 -50.97 70.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.011 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 5.0 mt -58.4 -17.06 17.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD21 HD11 ' A' ' 41' ' ' ILE . 30.3 mt -92.07 -19.6 22.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.41 -31.71 12.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -83.34 -9.46 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.95 13.2 59.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.49 -37.64 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HB3' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -135.4 41.83 2.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -90.23 18.83 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 31.0 p-80 -101.07 -17.79 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.585 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -117.39 169.99 6.72 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' GLU . 18.5 Cg_endo -75.0 155.93 42.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' ARG . 4.9 tp -44.8 -54.88 5.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -41.31 -29.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.6 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.9 mt-10 -95.11 -36.02 11.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' LEU . 67.0 mtt180 -57.31 -69.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.536 ' HA ' HD12 ' A' ' 41' ' ' ILE . 19.9 mmt -40.56 -65.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.607 HG13 ' H ' ' A' ' 40' ' ' GLU . 2.4 p -43.06 -59.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.607 ' H ' HG13 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -54.3 -41.92 69.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 HD21 ' A' ' 24' ' ' LEU . 53.4 mt -58.08 -54.34 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.76 -39.56 1.91 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.431 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -61.8 -44.3 97.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -61.62 -52.83 62.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' A' ' 16' ' ' TYR . 45.4 t-105 -56.66 -31.03 64.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -79.1 -21.37 46.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.337 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 48' ' ' ILE . 8.3 mtt180 -79.5 -52.78 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.849 HG21 ' OE1' ' A' ' 52' ' ' GLN . 9.8 pt -45.92 170.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.65 -167.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 51' ' ' SER . 18.4 tp60 -71.06 -51.35 25.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' GLN . 48.1 t -38.2 -54.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.849 ' OE1' HG21 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -56.71 -71.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 15.9 mttt -39.37 -43.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.34 -50.04 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' GLN . 75.5 t60 -57.34 -62.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 17.5 m-85 -50.17 -58.27 5.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' N ' ' HA3' ' A' ' 15' ' ' GLY . 25.3 ttpt -46.78 -42.89 17.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.99 -56.83 13.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' GLU . 63.3 mt -44.91 -55.4 5.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.16 -47.05 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.11 -42.93 91.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -60.64 -39.98 90.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -54.81 40.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -62.55 -20.29 64.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -75.47 -42.39 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' O ' HG22 ' A' ' 69' ' ' VAL . 76.2 mt-30 -74.3 -44.67 51.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.4 t80 -52.87 -22.08 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -57.49 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.5 m -64.31 -40.23 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -47.67 -48.74 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.583 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.9 tp -52.64 -41.66 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -42.16 69.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.49 -37.89 79.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.042 ' CH2' HD11 ' A' ' 78' ' ' LEU . 18.5 t90 -70.05 -29.86 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 71' ' ' LEU . 29.5 t -72.02 -49.1 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -51.51 -22.05 2.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 m -89.91 -32.06 17.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.042 HD11 ' CH2' ' A' ' 74' ' ' TRP . 26.0 mt -48.98 131.6 18.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.515 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.94 178.66 0.21 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.949 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.02 -14.83 20.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -93.41 -41.92 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -68.69 -57.54 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -40.28 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.93 -28.51 51.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -86.96 -60.12 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.553 ' CE1' HG13 ' A' ' 90' ' ' ILE . 3.4 t80 -41.24 -47.69 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -40.24 89.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -48.37 -38.21 18.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -79.92 -32.34 40.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.553 HG13 ' CE1' ' A' ' 86' ' ' TYR . 8.0 mm -58.72 -65.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -40.03 -38.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -97.22 65.59 2.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -165.52 -63.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -72.32 -59.37 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.08 176.21 5.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.53 78.39 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -58.96 119.27 17.16 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -178.17 3.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.9 p -150.3 161.37 42.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.991 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.4 p -163.95 145.02 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -174.39 115.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -178.98 151.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.87 148.12 5.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -165.8 109.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 0.802 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.71 157.41 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.05 -89.75 0.7 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.29 35.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -113.88 142.42 46.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.67 108.63 1.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.553 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.02 168.77 24.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.49 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 mmm -120.98 -42.85 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -124.34 168.98 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.534 ' C ' ' CH2' ' A' ' 45' ' ' TRP . . . -61.26 -25.77 65.16 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.123 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.554 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 10.9 t80 -68.48 -67.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -49.02 -27.62 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -64.6 -56.56 13.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.015 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 8.1 t80 -66.58 -47.46 72.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' LEU . 20.0 m -43.6 -57.54 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -44.59 -28.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -67.16 -43.78 81.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.015 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 6.6 mt -71.51 -12.31 61.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.426 HD21 HD11 ' A' ' 41' ' ' ILE . 11.6 mt -93.86 -26.54 16.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.81 -20.14 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 92.7 m-20 -77.6 -61.08 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.37 26.5 6.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -21.42 60.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -123.96 39.67 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.449 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -88.85 10.84 19.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -93.3 -16.97 24.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -120.2 166.21 15.85 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.25 41.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 34' ' ' LEU . 3.1 tm? -43.8 -61.97 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 34' ' ' LEU . 8.3 tptt -35.29 -35.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.531 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.7 mt-10 -87.42 -47.13 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' LEU . 91.4 mtt180 -43.39 -59.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.848 ' HA ' HD12 ' A' ' 41' ' ' ILE . 88.9 mmm -49.7 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.531 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 2.9 p -42.98 -48.1 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.11 -42.6 77.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 38' ' ' MET . 13.9 mt -58.39 -53.86 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.76 -37.23 1.26 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -45.12 87.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -63.89 -52.0 61.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 36.6 t-105 -58.46 -28.4 65.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -84.22 -18.18 37.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' ILE . 65.4 mtt-85 -78.05 -55.12 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.954 HD12 ' HB3' ' A' ' 52' ' ' GLN . 24.1 pt -47.48 173.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -107.46 -174.41 2.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' SER . 16.1 tp60 -54.15 -51.85 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' GLN . 11.8 t -36.41 -64.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.954 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -46.61 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 81.1 mttt -39.82 -53.53 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.73 -45.37 70.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.444 ' NE2' HD11 ' A' ' 59' ' ' LEU . 58.2 t60 -60.56 -59.63 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 21.2 m-85 -54.0 -63.29 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.433 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 10.4 ptmt -43.42 -40.85 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.23 -59.85 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' GLU . 63.3 mt -41.25 -57.49 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -38.94 -52.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.11 -45.44 64.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 tp10 -72.76 -34.97 67.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.46 ' CG ' ' HB3' ' A' ' 11' ' ' PRO . 1.8 tt0 -61.87 -41.96 98.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -76.48 -22.83 54.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -67.66 -40.97 84.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.441 ' O ' HG22 ' A' ' 69' ' ' VAL . 39.3 mt-30 -74.1 -44.79 52.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.553 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 2.2 t80 -48.92 -28.46 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -65.34 -59.63 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.5 m -63.35 -41.64 93.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -48.31 -42.41 31.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.583 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 71' ' ' LEU . 8.7 tp -59.14 -42.34 90.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -67.28 -48.01 68.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 73' ' ' LEU . 6.9 mt -52.8 -29.37 27.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.985 ' CH2' HD11 ' A' ' 78' ' ' LEU . 33.7 t90 -76.11 -30.22 58.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 71' ' ' LEU . 86.0 t -78.1 -33.82 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -68.95 -7.59 36.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -111.42 -11.19 14.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.985 HD11 ' CH2' ' A' ' 74' ' ' TRP . 12.3 mt -71.42 126.7 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -47.2 174.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.934 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -75.01 -7.77 19.45 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -94.65 -55.49 3.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -56.36 22.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.511 ' CZ ' ' O ' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -50.12 -47.2 54.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 88' ' ' GLU . . . -53.53 -34.87 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.2 -51.3 9.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 58.4 t80 -58.53 -57.68 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -31.25 68.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' CB ' ' O ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -61.33 -33.54 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.402 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 5.4 t80 -86.08 -34.14 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.545 HD11 ' CZ ' ' A' ' 86' ' ' TYR . 2.2 mm -59.03 -52.77 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 t -44.76 -56.58 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 22.2 p30 -82.61 52.86 2.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -157.23 -166.98 2.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 93' ' ' LYS . 5.9 mtp85 48.59 -177.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -104.06 134.93 46.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.8 p -51.94 172.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.959 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.46 131.78 3.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.15 4.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.87 150.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.954 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.0 p -163.21 -57.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.93 94.04 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.21 164.57 30.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.95 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.45 63.21 0.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t 70.57 78.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -101.48 70.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.77 -141.38 1.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -174.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.98 26.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.0 103.28 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.621 ' HD3' ' CD2' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -75.05 173.82 13.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.36 2.33 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.438 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 8.6 ptp -146.41 147.88 31.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 74.83 -60.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.14 -23.58 2.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.113 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.509 ' HA ' ' CZ3' ' A' ' 45' ' ' TRP . 9.0 t80 -65.87 -41.16 91.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' NE2' ' HG2' ' A' ' 13' ' ' MET . 16.1 mt-30 -65.83 -30.02 70.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.162 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -58.45 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.162 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 20.0 t80 -56.57 -39.72 73.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' LEU . 24.1 m -57.13 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.23 -31.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -66.39 -42.8 87.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.162 HD11 ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mt -70.85 -30.88 67.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.49 -27.21 60.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -95.4 -22.27 17.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 22' ' ' GLU . 76.8 m-20 -75.14 -60.33 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.08 29.71 6.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.08 -17.85 56.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.546 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -126.01 39.28 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.63 10.91 21.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.546 ' CE1' ' HA ' ' A' ' 29' ' ' LEU . 31.4 p-80 -92.11 -21.51 20.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.638 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.537 ' HG ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -115.22 168.64 7.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.05 155.71 42.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -40.41 -56.38 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -35.91 -55.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.547 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -67.34 -49.15 65.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' GLU . 61.5 mtt180 -38.64 -61.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.676 ' HA ' HD12 ' A' ' 41' ' ' ILE . 5.2 mmt -48.49 -69.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.547 ' CG1' ' HA ' ' A' ' 36' ' ' GLU . 3.2 p -46.48 -48.7 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.48 -41.84 63.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 38' ' ' MET . 17.3 mt -62.03 -61.87 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.93 -31.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -73.11 -54.82 7.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' ILE . 15.5 mtp85 -55.57 -36.19 66.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.558 ' CZ2' ' HG2' ' A' ' 53' ' ' LYS . 41.7 t-105 -65.34 -31.84 73.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.001 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -2.58 58.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.5 mtp85 -91.62 -50.91 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.983 HD12 ' HB3' ' A' ' 52' ' ' GLN . 22.7 pt -49.49 177.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.33 -173.84 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' SER . 20.5 tp60 -56.68 -49.82 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLN . 7.1 t -37.53 -62.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.983 ' HB3' HD12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -48.68 -71.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 45' ' ' TRP . 52.7 mttt -40.07 -45.81 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.22 -56.26 23.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.648 ' CE1' HD21 ' A' ' 59' ' ' LEU . 17.6 t60 -54.42 -65.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 12.3 m-85 -50.58 -26.11 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 9.6 ttpt -75.89 -24.05 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -87.31 -42.07 13.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.648 HD21 ' CE1' ' A' ' 55' ' ' HIS . 3.3 mm? -54.17 -57.29 11.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' LEU . . . -40.1 -46.12 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 4.2 mt-10 -57.85 -47.68 81.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -63.91 -39.18 93.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -63.11 -48.24 79.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -67.58 -23.61 65.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -71.13 -43.99 66.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.44 ' O ' HG22 ' A' ' 69' ' ' VAL . 32.2 mt-30 -71.69 -44.54 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.621 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 4.2 t80 -53.97 -24.97 18.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -51.14 65.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -71.55 -40.4 71.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -48.83 -45.27 40.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.6 tp -57.69 -40.37 79.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.65 -39.05 64.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.78 -38.88 92.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.081 ' CH2' HD11 ' A' ' 78' ' ' LEU . 13.1 t90 -66.85 -31.93 72.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 71' ' ' LEU . 24.9 t -67.36 -50.17 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -49.34 -24.29 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.52 -33.92 21.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.081 HD11 ' CH2' ' A' ' 74' ' ' TRP . 15.4 mt -50.06 122.69 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -51.0 178.62 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.957 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 79' ' ' SER . 18.3 Cg_endo -74.98 -16.18 20.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -92.09 -41.47 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.83 -57.87 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -35.73 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.17 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.06 -50.75 7.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.54 ' CE1' HG13 ' A' ' 90' ' ' ILE . 22.8 t80 -55.15 -59.74 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -35.38 70.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -33.23 67.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.455 ' CZ ' ' HG3' ' A' ' 93' ' ' LYS . 0.8 OUTLIER -88.07 -28.2 21.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.54 HG13 ' CE1' ' A' ' 86' ' ' TYR . 5.4 mm -61.91 -66.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.5 t -40.46 -43.73 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -92.17 59.13 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' HG3' ' CZ ' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -157.67 -58.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -66.17 133.45 50.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.4 tttm 44.49 88.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.4 t -64.47 95.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -150.51 172.77 30.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.5 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 75.08 -58.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.952 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.6 t -144.21 100.4 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 179.972 . . . . . . . . 0 0 . 1 stop_ save_